[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [4-benzyl-1-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[[2-(1-naphthalenyl)-5-pyrimidinyl]methyl]-4-(phenylmethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [4-benzyl-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-benzyl-1-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]methanol Formula: C28H30N3O+ MolecularWeight: 424.5573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CC2=CC=CC=C2)CO)CC3=CN=C(N=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1(CC2=CC=CC=C2)CO)CC3=CN=C(N=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O/c32-21-28(17-22-7-2-1-3-8-22)13-15-31(16-14-28)20-23-18-29-27(30-19-23)26-12-6-10-24-9-4-5-11-25(24)26/h1-12,18-19,32H,13-17,20-21H2/p+1