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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)NCC5CCCN5

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)NCC5CCCN5

InChI

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