5-chloranyl-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium

Systemtic Name: 5-chloranyl-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium Openeye Name: 5-chloro-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium CAS Name: 5-chloro-3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium IUPAC Name: 5-chloro-3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium Traditional Name: 5-chloro-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium Formula: C16H16ClN2+ MolecularWeight: 271.76464

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)Cl)C3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)Cl)C3=CC=CC=C3)C

InChI

InChI=1S/C16H16ClN2/c1-3-18-12(2)19(14-7-5-4-6-8-14)15-10-9-13(17)11-16(15)18/h4-11H,3H2,1-2H3/q+1