N'-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]ethane-1,2-diamine

Systemtic Name: N'-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]ethane-1,2-diamine Openeye Name: N'-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]ethane-1,2-diamine CAS Name: N'-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumyl]ethane-1,2-diamine IUPAC Name: N'-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-yl]amine Formula: C21H24N7+ MolecularWeight: 374.46216

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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)NCCN

Isomeric SMILES

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

InChI

InChI=1S/C21H24N7/c1-16(17-7-3-2-4-8-17)26-21-23-13-11-20(27-21)28(25-14-12-22)15-24-18-9-5-6-10-19(18)28/h2-11,13,15-16,25H,12,14,22H2,1H3,(H,23,26,27)/q+1