3-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1-methyl-indole

Systemtic Name: 3-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1-methyl-indole Openeye Name: 3-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1-methyl-indole CAS Name: 3-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]-1-methylindole IUPAC Name: 3-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1-methylindole Traditional Name: 3-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1-methyl-indole Formula: C31H32N5O+ MolecularWeight: 490.61868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCC(CC3)C4=NC(=NC=C4C5=CC(=CC=C5)OC)C6=CC=NC=C6

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCC(CC3)C4=NC(=NC=C4C5=CC(=CC=C5)OC)C6=CC=NC=C6

InChI

InChI=1S/C31H31N5O/c1-35-20-25(27-8-3-4-9-29(27)35)21-36-16-12-22(13-17-36)30-28(24-6-5-7-26(18-24)37-2)19-33-31(34-30)23-10-14-32-15-11-23/h3-11,14-15,18-20,22H,12-13,16-17,21H2,1-2H3/p+1