2-ethoxy-5-methyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 2-ethoxy-5-methyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-ethoxy-5-methyl-benzenesulfonamide CAS Name: 2-ethoxy-5-methyl-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-ethoxy-5-methylbenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-ethoxy-5-methyl-benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O3S/c1-3-27-21-10-9-18(2)15-22(21)28(25,26)23-16-19-11-13-24(14-12-19)17-20-7-5-4-6-8-20/h4-10,15,19,23H,3,11-14,16-17H2,1-2H3/p+1