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

Systemtic Name: ethyl 4-oxidanylidene-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-2-carboxylate Openeye Name: ethyl 4-oxo-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-2-carboxylate CAS Name: 4-oxo-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-2-carboxylate Traditional Name: 4-keto-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-2-carboxylic acid ethyl ester Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-2-29-23(28)21-19(22(27)18-10-6-7-11-20(18)24-21)16-25-12-14-26(15-13-25)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,24,27)/p+1