N-(3-methylbutyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine

Systemtic Name: N-(3-methylbutyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-isopentyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-(3-methylbutyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-(3-methylbutyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: isoamyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C24H29N6+ MolecularWeight: 401.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN[N+]1(C=NC2=CC=CC=C21)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN[N+]1(C=NC2=CC=CC=C21)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C24H29N6/c1-18(2)13-16-27-30(17-26-21-11-7-8-12-22(21)30)23-14-15-25-24(29-23)28-19(3)20-9-5-4-6-10-20/h4-12,14-15,17-19,27H,13,16H2,1-3H3,(H,25,28,29)/q+1