2-(4-methoxyphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanesulfonamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide CAS Name: 2-(4-methoxyphenyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]ethanesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-27-22-9-7-19(8-10-22)13-16-28(25,26)23-17-20-11-14-24(15-12-20)18-21-5-3-2-4-6-21/h2-10,20,23H,11-18H2,1H3/p+1