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

Systemtic Name: N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: N-[[1-(cyclopropylmethyl)-2-pyrrolidinyl]methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: [1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C28H34N7+ MolecularWeight: 468.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCCN5CC6CC6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=CC=CC=C43)NCC5CCCN5CC6CC6

InChI

InChI=1S/C28H34N7/c1-21(23-8-3-2-4-9-23)32-28-29-16-15-27(33-28)35(20-30-25-11-5-6-12-26(25)35)31-18-24-10-7-17-34(24)19-22-13-14-22/h2-6,8-9,11-12,15-16,20-22,24,31H,7,10,13-14,17-19H2,1H3,(H,29,32,33)/q+1