1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-prop-2-enyl-benzimidazol-1-ium-1-amine

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-prop-2-enyl-benzimidazol-1-ium-1-amine Openeye Name: N-allyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-prop-2-enyl-1-benzimidazol-1-iumamine IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-prop-2-enylbenzimidazol-1-ium-1-amine Traditional Name: allyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C22H23N6+ MolecularWeight: 371.45822

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N6/c1-3-14-25-28(16-24-19-11-7-8-12-20(19)28)21-13-15-23-22(27-21)26-17(2)18-9-5-4-6-10-18/h3-13,15-17,25H,1,14H2,2H3,(H,23,26,27)/q+1