4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-phenyl-2-(4-pyridyl)pyrimidine CAS Name: 4-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-5-phenyl-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine Traditional Name: 4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-phenyl-2-(4-pyridyl)pyrimidine Formula: C28H29N4+ MolecularWeight: 421.55666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H28N4/c1-3-8-22(9-4-1)15-19-32-18-7-12-25(21-32)27-26(23-10-5-2-6-11-23)20-30-28(31-27)24-13-16-29-17-14-24/h1-6,8-11,13-14,16-17,20,25H,7,12,15,18-19,21H2/p+1/t25-/m0/s1