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

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-(2-pyrrolidinylmethyl)-1-benzimidazol-1-iumamine IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine Traditional Name: [4-[1-amino-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C24H28N7+ MolecularWeight: 414.52602

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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)CC5CCCN5)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)CC5CCCN5)N

InChI

InChI=1S/C24H28N7/c1-17(19-6-3-2-4-7-19)29-24-27-13-11-23(30-24)31(25)16-28-21-15-18(9-10-22(21)31)14-20-8-5-12-26-20/h2-4,6-7,9-11,13,15-17,20,26H,5,8,12,14,25H2,1H3,(H,27,29,30)/q+1