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

Systemtic Name: 5-ethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Openeye Name: 5-ethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine CAS Name: 5-ethyl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-1-benzimidazol-1-iumamine IUPAC Name: 5-ethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-1-amine Traditional Name: [4-(1-amino-5-ethyl-benzimidazol-1-ium-1-yl)pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C21H23N6+ MolecularWeight: 359.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)N

Isomeric SMILES

CCC1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)N

InChI

InChI=1S/C21H23N6/c1-3-16-9-10-19-18(13-16)24-14-27(19,22)20-11-12-23-21(26-20)25-15(2)17-7-5-4-6-8-17/h4-15H,3,22H2,1-2H3,(H,23,25,26)/q+1