Compound Name: | Clofilium tosylate |
Compound CID: | 175533 |
Synonyms: | Clofilium tosylate
92953-10-1
N-(4-(4-Chlorophenyl)butyl)-N,N-diethylheptan-1-aminium 4-methylbenzenesulfonate
UNII-13ZVF1051K
13ZVF1051K
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Iupac Name: | 4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonate |
InChI: | InChI=1S/C21H37ClN.C7H8O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h14-17H,4-13,18-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
InChIKey: | MOQZYUUHIWPDQC-UHFFFAOYSA-M |
Canonical Smiles: | CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Isomeric Smiles: | CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Molecular Weight: | 510.2 |
Molecular Formula: | C28H44ClNO3S |