1-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]-4-chloranyl-butan-1-one

Systemtic Name: 1-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]-4-chloranyl-butan-1-one Openeye Name: 1-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]-4-chloro-butan-1-one CAS Name: 1-[3-(1H-benzimidazol-2-yl)-1-pyridin-1-iumyl]-4-chloro-1-butanone IUPAC Name: 1-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]-4-chlorobutan-1-one Traditional Name: 1-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]-4-chloro-butan-1-one Formula: C16H15ClN3O+ MolecularWeight: 300.7628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=C[N+](=CC=C3)C(=O)CCCCl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C[N+](=CC=C3)C(=O)CCCCl

InChI

InChI=1S/C16H15ClN3O/c17-9-3-8-15(21)20-10-4-5-12(11-20)16-18-13-6-1-2-7-14(13)19-16/h1-2,4-7,10-11H,3,8-9H2,(H,18,19)/q+1