N-(1-methylpyridin-1-ium-4-yl)-2-(phenoxymethyl)-3H-benzimidazol-5-amine

Systemtic Name: N-(1-methylpyridin-1-ium-4-yl)-2-(phenoxymethyl)-3H-benzimidazol-5-amine Openeye Name: N-(1-methylpyridin-1-ium-4-yl)-2-(phenoxymethyl)-3H-benzimidazol-5-amine CAS Name: N-(1-methyl-4-pyridin-1-iumyl)-2-(phenoxymethyl)-3H-benzimidazol-5-amine IUPAC Name: N-(1-methylpyridin-1-ium-4-yl)-2-(phenoxymethyl)-3H-benzimidazol-5-amine Traditional Name: (1-methylpyridin-1-ium-4-yl)-[2-(phenoxymethyl)-3H-benzimidazol-5-yl]amine Formula: C20H19N4O+ MolecularWeight: 331.39106

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)NC2=CC3=C(C=C2)N=C(N3)COC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=C(C=C1)NC2=CC3=C(C=C2)N=C(N3)COC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O/c1-24-11-9-15(10-12-24)21-16-7-8-18-19(13-16)23-20(22-18)14-25-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23)/p+1