4-azanyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-quinolin-1-ium-3-carbohydrazide

Systemtic Name: 4-azanyl-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-quinolin-1-ium-3-carbohydrazide Openeye Name: 4-amino-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)quinolin-1-ium-3-carbohydrazide CAS Name: 4-amino-N'-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3-quinolin-1-iumcarbohydrazide IUPAC Name: 4-amino-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)quinolin-1-ium-3-carbohydrazide Traditional Name: 4-amino-N'-(4-pyrrolidinosulfonylbenzoyl)quinolin-1-ium-3-carbohydrazide Formula: C21H22N5O4S+ MolecularWeight: 440.49548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C4=CC=CC=C4[NH+]=C3)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C4=CC=CC=C4[NH+]=C3)N

InChI

InChI=1S/C21H21N5O4S/c22-19-16-5-1-2-6-18(16)23-13-17(19)21(28)25-24-20(27)14-7-9-15(10-8-14)31(29,30)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,24,27)(H,25,28)/p+1