N-[(3,5-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: (3,5-dimethoxybenzyl)-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C28H29N6O2+ MolecularWeight: 481.56886

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H29N6O2/c1-20(22-9-5-4-6-10-22)32-28-29-14-13-27(33-28)34(19-30-25-11-7-8-12-26(25)34)31-18-21-15-23(35-2)17-24(16-21)36-3/h4-17,19-20,31H,18H2,1-3H3,(H,29,32,33)/q+1