5-methyl-N-[(1-methyl-4-phenyl-piperidin-4-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: 5-methyl-N-[(1-methyl-4-phenyl-piperidin-4-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: 5-methyl-N-[(1-methyl-4-phenyl-4-piperidyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: 5-methyl-N-[(1-methyl-4-phenyl-4-piperidinyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: 5-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: [4-[5-methyl-1-[(1-methyl-4-phenyl-4-piperidyl)methylamino]benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C33H38N7+ MolecularWeight: 532.70172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)NCC5(CCN(CC5)C)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)NCC5(CCN(CC5)C)C6=CC=CC=C6

InChI

InChI=1S/C33H38N7/c1-25-14-15-30-29(22-25)35-24-40(30,31-16-19-34-32(38-31)37-26(2)27-10-6-4-7-11-27)36-23-33(17-20-39(3)21-18-33)28-12-8-5-9-13-28/h4-16,19,22,24,26,36H,17-18,20-21,23H2,1-3H3,(H,34,37,38)/q+1