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

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-3-ylmethyl)benzimidazol-1-ium-1-amine Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-3-ylmethyl)benzimidazol-1-ium-1-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-(3-pyrrolidinylmethyl)-1-benzimidazol-1-iumamine IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-3-ylmethyl)benzimidazol-1-ium-1-amine Traditional Name: 1-phenylethyl-[4-[1-(pyrrolidin-3-ylmethylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amine Formula: C24H28N7+ MolecularWeight: 414.52602

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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)NCC5CCNC5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCNC5

InChI

InChI=1S/C24H28N7/c1-18(20-7-3-2-4-8-20)29-24-26-14-12-23(30-24)31(28-16-19-11-13-25-15-19)17-27-21-9-5-6-10-22(21)31/h2-10,12,14,17-19,25,28H,11,13,15-16H2,1H3,(H,26,29,30)/q+1