(3S,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidine-1-sulfonamide

Systemtic Name: (3S,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidine-1-sulfonamide Openeye Name: (3S,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidine-1-sulfonamide CAS Name: (3S,5S)-N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3,5-dimethyl-1-piperidinesulfonamide IUPAC Name: (3S,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethylpiperidine-1-sulfonamide Traditional Name: (3S,5S)-N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3,5-dimethyl-piperidine-1-sulfonamide Formula: C19H31ClN3O2S+ MolecularWeight: 400.98634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H30ClN3O2S/c1-15-11-16(2)13-23(12-15)26(24,25)21-19-7-9-22(10-8-19)14-17-3-5-18(20)6-4-17/h3-6,15-16,19,21H,7-14H2,1-2H3/p+1/t15-,16-/m0/s1