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

Systemtic Name: N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-[(1-isobutylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-[[1-(2-methylpropyl)-2-pyrrolidinyl]methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: (1-isobutylpyrrolidin-2-yl)methyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C28H36N7+ MolecularWeight: 470.63234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCCC1CN[N+]2(C=NC3=CC=CC=C32)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

Isomeric SMILES

CC(C)CN1CCCC1CN[N+]2(C=NC3=CC=CC=C32)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

InChI

InChI=1S/C28H36N7/c1-21(2)19-34-17-9-12-24(34)18-31-35(20-30-25-13-7-8-14-26(25)35)27-15-16-29-28(33-27)32-22(3)23-10-5-4-6-11-23/h4-8,10-11,13-16,20-22,24,31H,9,12,17-19H2,1-3H3,(H,29,32,33)/q+1