2-[2,3-bis(azanyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[2,3-bis(azanyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-(2,3-diaminobenzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone CAS Name: 2-(2,3-diamino-1-benzimidazol-1-iumyl)-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-(2,3-diaminobenzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone Traditional Name: 2-(2,3-diaminobenzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)N)N

InChI

InChI=1S/C16H16N4O2/c1-22-12-8-6-11(7-9-12)15(21)10-19-13-4-2-3-5-14(13)20(18)16(19)17/h2-9,17H,10,18H2,1H3/p+1