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

Systemtic Name: methyl 4-methyl-2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H25N3O3/c1-17-19-10-6-7-11-20(19)25-21(22(17)24(29)30-2)16-26-12-14-27(15-13-26)23(28)18-8-4-3-5-9-18/h3-11H,12-16H2,1-2H3/p+1