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

Systemtic Name: ethyl 6-(dimethylamino)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 6-(dimethylamino)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 6-(dimethylamino)-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(dimethylamino)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 6-(dimethylamino)-4-keto-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinoline-2-carboxylic acid ethyl ester Formula: C20H30N4O3+2 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H28N4O3/c1-5-27-20(26)18-16(13-24-10-8-23(4)9-11-24)19(25)15-12-14(22(2)3)6-7-17(15)21-18/h6-7,12H,5,8-11,13H2,1-4H3,(H,21,25)/p+2