N-[(3-methoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: N-[(3-methoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-[(3-methoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-[(3-methoxyphenyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: m-anisyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C27H27N6O+ MolecularWeight: 451.54288

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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)NCC5=CC(=CC=C5)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5=CC(=CC=C5)OC

InChI

InChI=1S/C27H27N6O/c1-20(22-10-4-3-5-11-22)31-27-28-16-15-26(32-27)33(19-29-24-13-6-7-14-25(24)33)30-18-21-9-8-12-23(17-21)34-2/h3-17,19-20,30H,18H2,1-2H3,(H,28,31,32)/q+1