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

Systemtic Name: 4-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-5-(o-tolyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 5-(o-tolyl)-2-(4-pyridyl)-4-[(3S)-1-veratrylpiperidin-1-ium-3-yl]pyrimidine Formula: C30H33N4O2+ MolecularWeight: 481.60862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCC[NH+](C3)CC4=CC(=C(C=C4)OC)OC)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2[C@H]3CCC[NH+](C3)CC4=CC(=C(C=C4)OC)OC)C5=CC=NC=C5

InChI

InChI=1S/C30H32N4O2/c1-21-7-4-5-9-25(21)26-18-32-30(23-12-14-31-15-13-23)33-29(26)24-8-6-16-34(20-24)19-22-10-11-27(35-2)28(17-22)36-3/h4-5,7,9-15,17-18,24H,6,8,16,19-20H2,1-3H3/p+1/t24-/m0/s1