N-(1,2-diphenylethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: N-(1,2-diphenylethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-(1,2-diphenylethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-(1,2-diphenylethyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-(1,2-diphenylethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: 1,2-diphenylethyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C33H31N6+ MolecularWeight: 511.63944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NC(CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H31N6/c1-25(27-15-7-3-8-16-27)36-33-34-22-21-32(37-33)39(24-35-29-19-11-12-20-31(29)39)38-30(28-17-9-4-10-18-28)23-26-13-5-2-6-14-26/h2-22,24-25,30,38H,23H2,1H3,(H,34,36,37)/q+1