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

Systemtic Name: 4-methoxy-3-methyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-methoxy-3-methyl-benzenesulfonamide CAS Name: 4-methoxy-3-methyl-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-methoxy-3-methylbenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-methoxy-3-methyl-benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H28N2O3S/c1-17-14-20(8-9-21(17)26-2)27(24,25)22-15-18-10-12-23(13-11-18)16-19-6-4-3-5-7-19/h3-9,14,18,22H,10-13,15-16H2,1-2H3/p+1