4-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-aniline Openeye Name: 4-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-aniline CAS Name: 4-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]-N,N-dimethylaniline IUPAC Name: 4-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-N,N-dimethylaniline Traditional Name: [4-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenyl]-dimethyl-amine Formula: C30H34N5O+ MolecularWeight: 480.62386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5

InChI

InChI=1S/C30H33N5O/c1-34(2)26-9-7-22(8-10-26)21-35-17-13-23(14-18-35)29-28(25-5-4-6-27(19-25)36-3)20-32-30(33-29)24-11-15-31-16-12-24/h4-12,15-16,19-20,23H,13-14,17-18,21H2,1-3H3/p+1