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

Systemtic Name: methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C(=O)OC

InChI

InChI=1S/C23H25N3O3/c1-16-17-7-3-4-8-18(17)24-19(22(16)23(28)29-2)15-25-11-13-26(14-12-25)20-9-5-6-10-21(20)27/h3-10,27H,11-15H2,1-2H3/p+1