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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)OC)C

InChI

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