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

Systemtic Name: 5-[(1-methylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: 5-[(1-methylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: 5-[(1-methyl-2-pyrrolidinyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: 5-[(1-methylpyrrolidin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: [4-[1-amino-5-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-(1-phenylethyl)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)CC5CCCN5C)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)CC5CCCN5C)N

InChI

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