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

Systemtic Name: 1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine Openeye Name: 1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine CAS Name: 1-[2-[1-(3-nitrophenyl)ethylamino]-4-pyrimidinyl]-N-(2-pyrrolidinylmethyl)-1-benzimidazol-1-iumamine IUPAC Name: 1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine Traditional Name: 1-(3-nitrophenyl)ethyl-[4-[1-(pyrrolidin-2-ylmethylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amine Formula: C24H27N8O2+ MolecularWeight: 459.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCCN5

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCCN5

InChI

InChI=1S/C24H27N8O2/c1-17(18-6-4-8-20(14-18)31(33)34)29-24-26-13-11-23(30-24)32(28-15-19-7-5-12-25-19)16-27-21-9-2-3-10-22(21)32/h2-4,6,8-11,13-14,16-17,19,25,28H,5,7,12,15H2,1H3,(H,26,29,30)/q+1