N-(4-methoxyphenyl)-4-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzenesulfonamide

Systemtic Name: N-(4-methoxyphenyl)-4-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzenesulfonamide Openeye Name: N-(4-methoxyphenyl)-4-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-4-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: N-(4-methoxyphenyl)-4-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzenesulfonamide Traditional Name: N-(4-methoxyphenyl)-4-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC[NH+]2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC[NH+]2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N2O3S/c1-18-6-12-21(13-7-18)27(24,25)23(17-16-22-14-4-3-5-15-22)19-8-10-20(26-2)11-9-19/h6-13H,3-5,14-17H2,1-2H3/p+1