[(S)-(3,4-dimethylphenyl)-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]azanium

Systemtic Name: [(S)-(3,4-dimethylphenyl)-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]azanium Openeye Name: [(S)-(3,4-dimethylphenyl)-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]ammonium CAS Name: [(S)-(3,4-dimethylphenyl)-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]ammonium IUPAC Name: [(S)-(3,4-dimethylphenyl)-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]azanium Traditional Name: [(S)-(3,4-dimethylphenyl)-(2-keto-1,3-dihydrobenzimidazol-5-yl)methyl]ammonium Formula: C16H18N3O+ MolecularWeight: 268.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)NC(=O)N3)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C2=CC3=C(C=C2)NC(=O)N3)[NH3+])C

InChI

InChI=1S/C16H17N3O/c1-9-3-4-11(7-10(9)2)15(17)12-5-6-13-14(8-12)19-16(20)18-13/h3-8,15H,17H2,1-2H3,(H2,18,19,20)/p+1/t15-/m0/s1