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

Systemtic Name: 5-chloranyl-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium; ethyl sulfate Openeye Name: 5-chloro-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium; ethyl sulfate CAS Name: 5-chloro-3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium; ethyl sulfate IUPAC Name: 5-chloro-3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium; ethyl sulfate Traditional Name: 5-chloro-3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium; ethyl sulfate Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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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.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)Cl)C3=CC=CC=C3)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C16H16ClN2.C2H6O4S/c1-3-18-12(2)19(14-7-5-4-6-8-14)15-10-9-13(17)11-16(15)18;1-2-6-7(3,4)5/h4-11H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1