methyl 4-[[4-[5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[5-(m-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[5-(3-methylphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[5-(m-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C30H31N4O2+ MolecularWeight: 479.59274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)OC)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)OC)C5=CC=NC=C5

InChI

InChI=1S/C30H30N4O2/c1-21-4-3-5-26(18-21)27-19-32-29(24-10-14-31-15-11-24)33-28(27)23-12-16-34(17-13-23)20-22-6-8-25(9-7-22)30(35)36-2/h3-11,14-15,18-19,23H,12-13,16-17,20H2,1-2H3/p+1