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

Systemtic Name: methyl 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H25N3O3+2 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)C[NH+]3CC[NH+](CC3)C

InChI

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