methyl 2-[[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c1-16-20-5-3-4-6-21(20)25-22(23(16)24(28)29-2)15-26-13-11-18(12-14-26)17-7-9-19(27)10-8-17/h3-11,27H,12-15H2,1-2H3/p+1