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

Systemtic Name: 5-phenyl-2-pyridin-4-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-phenyl-2-(4-pyridyl)-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-phenyl-2-pyridin-4-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-phenyl-2-pyridin-4-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-phenyl-2-(4-pyridyl)-4-[(3S)-1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-3-yl]pyrimidine Formula: C30H33N4O3+ MolecularWeight: 497.60802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCCC(C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCC[C@@H](C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5)OC)OC

InChI

InChI=1S/C30H32N4O3/c1-35-26-12-11-24(28(36-2)29(26)37-3)20-34-17-7-10-23(19-34)27-25(21-8-5-4-6-9-21)18-32-30(33-27)22-13-15-31-16-14-22/h4-6,8-9,11-16,18,23H,7,10,17,19-20H2,1-3H3/p+1/t23-/m0/s1