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

Systemtic Name: ethyl 2-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-4-32-26(31)25-18(2)22-7-5-6-8-23(22)27-24(25)17-28-13-15-29(16-14-28)21-11-9-20(10-12-21)19(3)30/h5-12H,4,13-17H2,1-3H3/p+1