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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C)C

InChI

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