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

Systemtic Name: 4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(m-tolyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[1-[(4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 5-(m-tolyl)-4-(1-p-anisylpiperidin-1-ium-4-yl)-2-(4-pyridyl)pyrimidine Formula: C29H31N4O+ MolecularWeight: 451.58264

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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)OC)C5=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O/c1-21-4-3-5-25(18-21)27-19-31-29(24-10-14-30-15-11-24)32-28(27)23-12-16-33(17-13-23)20-22-6-8-26(34-2)9-7-22/h3-11,14-15,18-19,23H,12-13,16-17,20H2,1-2H3/p+1