1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Cl-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Cl-]

InChI

InChI=1S/C18H20N4O4S.ClH/c19-18(24)14-4-3-9-21(12-14)13-17(23)20-15-5-7-16(8-6-15)27(25,26)22-10-1-2-11-22;/h3-9,12H,1-2,10-11,13H2,(H2-,19,20,23,24);1H