3-[4-(phenylmethyl)piperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)propionamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O3S/c22-28(26,27)20-8-6-19(7-9-20)23-21(25)12-15-24-13-10-18(11-14-24)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,25)(H2,22,26,27)/p+1