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

Systemtic Name: N-(1-methylpyridin-1-ium-4-yl)-2-(phenoxymethyl)-3H-benzimidazol-5-amine dihydrochloride Openeye Name: N-(1-methylpyridin-1-ium-4-yl)-2-(phenoxymethyl)-3H-benzimidazol-5-amine dihydrochloride CAS Name: N-(1-methyl-4-pyridin-1-iumyl)-2-(phenoxymethyl)-3H-benzimidazol-5-amine dihydrochloride IUPAC Name: N-(1-methylpyridin-1-ium-4-yl)-2-(phenoxymethyl)-3H-benzimidazol-5-amine dihydrochloride Traditional Name: (1-methylpyridin-1-ium-4-yl)-[2-(phenoxymethyl)-3H-benzimidazol-5-yl]amine dihydrochloride Formula: C20H21Cl2N4O+ MolecularWeight: 404.31294

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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.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O.2ClH/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);2*1H/p+1