1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine

Systemtic Name: 1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine Openeye Name: 1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine CAS Name: 1-[2-[1-(3-nitrophenyl)ethylamino]-4-pyrimidinyl]-5-(2-pyrrolidinylmethyl)-1-benzimidazol-1-iumamine IUPAC Name: 1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine Traditional Name: [4-[1-amino-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-[1-(3-nitrophenyl)ethyl]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=C3C=CC(=C4)CC5CCCN5)N

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)CC5CCCN5)N

InChI

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