methyl 4-[(R)-(2-methyl-8-oxidanyl-quinolin-7-yl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[(R)-(2-methyl-8-oxidanyl-quinolin-7-yl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]benzoate Openeye Name: methyl 4-[(R)-(8-hydroxy-2-methyl-7-quinolyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]benzoate CAS Name: 4-[(R)-(8-hydroxy-2-methyl-7-quinolinyl)-[(4-methyl-2-pyridin-1-iumyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(R)-(8-hydroxy-2-methylquinolin-7-yl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]benzoate Traditional Name: 4-[(R)-(8-hydroxy-2-methyl-7-quinolyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]benzoic acid methyl ester Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=CC=C(C=C2)C(=O)OC)C3=C(C4=C(C=CC(=N4)C)C=C3)O

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@H](C2=CC=C(C=C2)C(=O)OC)C3=C(C4=C(C=CC(=N4)C)C=C3)O

InChI

InChI=1S/C25H23N3O3/c1-15-12-13-26-21(14-15)28-22(17-6-8-19(9-7-17)25(30)31-3)20-11-10-18-5-4-16(2)27-23(18)24(20)29/h4-14,22,29H,1-3H3,(H,26,28)/p+1/t22-/m1/s1