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

Systemtic Name: 1-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-5-amine Openeye Name: 1-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-5-amine CAS Name: 1-methyl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-(2-pyrrolidinylmethyl)-5-benzimidazol-1-iumamine IUPAC Name: 1-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-5-amine Traditional Name: [1-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(pyrrolidin-2-ylmethyl)amine Formula: C25H30N7+ MolecularWeight: 428.5526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)NCC5CCCN5)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)NCC5CCCN5)C

InChI

InChI=1S/C25H30N7/c1-18(19-7-4-3-5-8-19)30-25-27-14-12-24(31-25)32(2)17-29-22-15-20(10-11-23(22)32)28-16-21-9-6-13-26-21/h3-5,7-8,10-12,14-15,17-18,21,26,28H,6,9,13,16H2,1-2H3,(H,27,30,31)/q+1