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

Systemtic Name: ethyl 4-methyl-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C4=CC=CC=C4C)C

InChI

InChI=1S/C25H29N3O2/c1-4-30-25(29)24-19(3)20-10-6-7-11-21(20)26-22(24)17-27-13-15-28(16-14-27)23-12-8-5-9-18(23)2/h5-12H,4,13-17H2,1-3H3/p+1