3,4-dimethoxy-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3,4-dimethoxy-benzenesulfonamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H28N2O4S/c1-26-20-9-8-19(14-21(20)27-2)28(24,25)22-15-17-10-12-23(13-11-17)16-18-6-4-3-5-7-18/h3-9,14,17,22H,10-13,15-16H2,1-2H3/p+1