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

Systemtic Name: 1-[4-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]-4-chloranyl-butan-1-one Openeye Name: 1-[4-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]-4-chloro-butan-1-one CAS Name: 1-[4-(1H-benzimidazol-2-yl)-1-pyridin-1-iumyl]-4-chloro-1-butanone IUPAC Name: 1-[4-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]-4-chlorobutan-1-one Traditional Name: 1-[4-(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=CC=[N+](C=C3)C(=O)CCCCl

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O/c17-9-3-6-15(21)20-10-7-12(8-11-20)16-18-13-4-1-2-5-14(13)19-16/h1-2,4-5,7-8,10-11H,3,6,9H2/p+1