ethyl 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinoline-6-carboxylic acid ethyl ester Formula: C19H27N3O3+2 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C

InChI

InChI=1S/C19H25N3O3/c1-4-25-19(24)14-5-6-17-15(11-14)18(23)16(13(2)20-17)12-22-9-7-21(3)8-10-22/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23)/p+2