6-chloranyl-1,3-diethyl-2-methyl-benzimidazol-3-ium-5-carbonitrile

Systemtic Name: 6-chloranyl-1,3-diethyl-2-methyl-benzimidazol-3-ium-5-carbonitrile Openeye Name: 6-chloro-1,3-diethyl-2-methyl-benzimidazol-3-ium-5-carbonitrile CAS Name: 6-chloro-1,3-diethyl-2-methyl-5-benzimidazol-3-iumcarbonitrile IUPAC Name: 6-chloro-1,3-diethyl-2-methylbenzimidazol-3-ium-5-carbonitrile Traditional Name: 6-chloro-1,3-diethyl-2-methyl-benzimidazol-3-ium-5-carbonitrile Formula: C13H15ClN3+ MolecularWeight: 248.7313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C(=C2)C#N)Cl)CC)C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C(=C2)C#N)Cl)CC)C

InChI

InChI=1S/C13H15ClN3/c1-4-16-9(3)17(5-2)13-7-11(14)10(8-15)6-12(13)16/h6-7H,4-5H2,1-3H3/q+1