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

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: (1-ethylpyrrolidin-2-yl)methyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C26H32N7+ MolecularWeight: 442.57918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN[N+]2(C=NC3=CC=CC=C32)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

Isomeric SMILES

CCN1CCCC1CN[N+]2(C=NC3=CC=CC=C32)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

InChI

InChI=1S/C26H32N7/c1-3-32-17-9-12-22(32)18-29-33(19-28-23-13-7-8-14-24(23)33)25-15-16-27-26(31-25)30-20(2)21-10-5-4-6-11-21/h4-8,10-11,13-16,19-20,22,29H,3,9,12,17-18H2,1-2H3,(H,27,30,31)/q+1