ethyl 2-methyl-4-oxidanylidene-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 2-methyl-4-oxidanylidene-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-methyl-4-oxo-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate CAS Name: 2-methyl-4-oxo-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-oxo-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylic acid ethyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3O3/c1-3-30-24(29)18-9-10-22-20(15-18)23(28)21(17(2)25-22)16-26-11-13-27(14-12-26)19-7-5-4-6-8-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,28)/p+1