5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: 5-ethyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: [4-[5-ethyl-1-[(1-ethylpyrrolidin-2-yl)methylamino]benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C28H36N7+ MolecularWeight: 470.63234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)NCC5CCCN5CC

Isomeric SMILES

CCC1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)NCC5CCCN5CC

InChI

InChI=1S/C28H36N7/c1-4-22-13-14-26-25(18-22)30-20-35(26,31-19-24-12-9-17-34(24)5-2)27-15-16-29-28(33-27)32-21(3)23-10-7-6-8-11-23/h6-8,10-11,13-16,18,20-21,24,31H,4-5,9,12,17,19H2,1-3H3,(H,29,32,33)/q+1