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

Systemtic Name: propyl 2-methyl-4-oxidanylidene-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinoline-6-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-3-15-31-25(30)19-9-10-23-21(16-19)24(29)22(18(2)26-23)17-27-11-13-28(14-12-27)20-7-5-4-6-8-20/h4-10,16H,3,11-15,17H2,1-2H3,(H,26,29)/p+1