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

Systemtic Name: ethyl 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinoline-2-carboxylic acid ethyl ester Formula: C18H25N3O3+2 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C18H23N3O3/c1-3-24-18(23)16-14(12-21-10-8-20(2)9-11-21)17(22)13-6-4-5-7-15(13)19-16/h4-7H,3,8-12H2,1-2H3,(H,19,22)/p+2