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

Systemtic Name: N-(cyclohexylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-(cyclohexylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-(cyclohexylmethyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-(cyclohexylmethyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: cyclohexylmethyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C26H31N6+ MolecularWeight: 427.56454

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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)NCC5CCCCC5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCCCC5

InChI

InChI=1S/C26H31N6/c1-20(22-12-6-3-7-13-22)30-26-27-17-16-25(31-26)32(29-18-21-10-4-2-5-11-21)19-28-23-14-8-9-15-24(23)32/h3,6-9,12-17,19-21,29H,2,4-5,10-11,18H2,1H3,(H,27,30,31)/q+1