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

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(piperazin-2-ylmethyl)benzimidazol-1-ium-1-amine Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(piperazin-2-ylmethyl)benzimidazol-1-ium-1-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-(2-piperazinylmethyl)-1-benzimidazol-1-iumamine IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(piperazin-2-ylmethyl)benzimidazol-1-ium-1-amine Traditional Name: 1-phenylethyl-[4-[1-(piperazin-2-ylmethylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amine Formula: C24H29N8+ MolecularWeight: 429.54066

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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)NCC5CNCCN5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CNCCN5

InChI

InChI=1S/C24H29N8/c1-18(19-7-3-2-4-8-19)30-24-27-12-11-23(31-24)32(29-16-20-15-25-13-14-26-20)17-28-21-9-5-6-10-22(21)32/h2-12,17-18,20,25-26,29H,13-16H2,1H3,(H,27,30,31)/q+1