methyl-[1-[(8-nitro-2-oxidanylidene-1H-quinolin-6-yl)carbonyl]piperidin-4-yl]-phenethyl-azanium chloride

Systemtic Name: methyl-[1-[(8-nitro-2-oxidanylidene-1H-quinolin-6-yl)carbonyl]piperidin-4-yl]-phenethyl-azanium chloride Openeye Name: methyl-[1-(8-nitro-2-oxo-1H-quinoline-6-carbonyl)-4-piperidyl]-phenethyl-ammonium chloride CAS Name: methyl-[1-[(8-nitro-2-oxo-1H-quinolin-6-yl)-oxomethyl]-4-piperidinyl]-phenethylammonium chloride IUPAC Name: methyl-[1-(8-nitro-2-oxo-1H-quinoline-6-carbonyl)piperidin-4-yl]-phenethylazanium chloride Traditional Name: [1-(2-keto-8-nitro-1H-quinoline-6-carbonyl)-4-piperidyl]-methyl-phenethyl-ammonium chloride Formula: C24H27ClN4O4 MolecularWeight: 470.94858

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C3=CC(=C4C(=C3)C=CC(=O)N4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C3=CC(=C4C(=C3)C=CC(=O)N4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C24H26N4O4.ClH/c1-26(12-9-17-5-3-2-4-6-17)20-10-13-27(14-11-20)24(30)19-15-18-7-8-22(29)25-23(18)21(16-19)28(31)32;/h2-8,15-16,20H,9-14H2,1H3,(H,25,29);1H