1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[(4-sulfamoylphenyl)methyl]urea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[(4-sulfamoylphenyl)methyl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-sulfamoylphenyl)methyl]urea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[(4-sulfamoylphenyl)methyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-sulfamoylphenyl)methyl]urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-sulfamoylbenzyl)urea Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/c21-28(26,27)19-8-6-16(7-9-19)14-22-20(25)23-18-10-12-24(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2,(H2,21,26,27)(H2,22,23,25)/p+1