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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O2/c1-21-8-4-5-11-25(21)26-18-32-30(22-13-15-31-16-14-22)33-28(26)23-10-7-17-34(19-23)20-24-9-6-12-27(35-2)29(24)36-3/h4-6,8-9,11-16,18,23H,7,10,17,19-20H2,1-3H3/p+1/t23-/m0/s1