[(1S)-1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-pyrazol-1-yl-ethyl]azanium

Systemtic Name: [(1S)-1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-pyrazol-1-yl-ethyl]azanium Openeye Name: [(1S)-1-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2-pyrazol-1-yl-ethyl]ammonium CAS Name: [(1S)-1-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [(1S)-1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-pyrazol-1-ylethyl]azanium Traditional Name: [(1S)-1-(2-keto-1,3-dimethyl-benzimidazol-5-yl)-2-pyrazol-1-yl-ethyl]ammonium Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(CN3C=CC=N3)[NH3+])N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)[C@@H](CN3C=CC=N3)[NH3+])N(C1=O)C

InChI

InChI=1S/C14H17N5O/c1-17-12-5-4-10(8-13(12)18(2)14(17)20)11(15)9-19-7-3-6-16-19/h3-8,11H,9,15H2,1-2H3/p+1/t11-/m1/s1