ethyl 4-methyl-2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O3/c1-3-31-25(30)23-18(2)20-11-7-8-12-21(20)26-22(23)17-27-13-15-28(16-14-27)24(29)19-9-5-4-6-10-19/h4-12H,3,13-17H2,1-2H3/p+1