1-[3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-oxo-3-(4-sulfamoylanilino)propyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[3-keto-3-(4-sulfamoylanilino)propyl]piperidin-1-ium-4-carboxamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H28N4O4S/c23-31(29,30)20-8-6-19(7-9-20)25-21(27)12-15-26-13-10-18(11-14-26)22(28)24-16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,24,28)(H,25,27)(H2,23,29,30)/p+1