propyl 2-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: propyl 2-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: propyl 2-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid propyl ester IUPAC Name: propyl 2-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1H-quinoline-6-carboxylic acid propyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)CN3CC[NH+](CC3)C)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)CN3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H27N3O3/c1-4-11-26-20(25)15-5-6-18-16(12-15)19(24)17(14(2)21-18)13-23-9-7-22(3)8-10-23/h5-6,12H,4,7-11,13H2,1-3H3,(H,21,24)/p+1