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

Systemtic Name: 4-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-5-phenyl-2-(4-pyridyl)pyrimidine CAS Name: 4-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-5-phenyl-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine Traditional Name: 5-phenyl-2-(4-pyridyl)-4-[(3S)-1-veratrylpiperidin-1-ium-3-yl]pyrimidine Formula: C29H31N4O2+ MolecularWeight: 467.58204

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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

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

InChI

InChI=1S/C29H30N4O2/c1-34-26-11-10-21(17-27(26)35-2)19-33-16-6-9-24(20-33)28-25(22-7-4-3-5-8-22)18-31-29(32-28)23-12-14-30-15-13-23/h3-5,7-8,10-15,17-18,24H,6,9,16,19-20H2,1-2H3/p+1/t24-/m0/s1