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

Systemtic Name: [(1R)-1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-(3,5-dimethylpyrazol-1-yl)ethyl]azanium Openeye Name: [(1R)-1-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2-(3,5-dimethylpyrazol-1-yl)ethyl]ammonium CAS Name: [(1R)-1-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-(3,5-dimethyl-1-pyrazolyl)ethyl]ammonium IUPAC Name: [(1R)-1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,5-dimethylpyrazol-1-yl)ethyl]azanium Traditional Name: [(1R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-keto-1,3-dimethyl-benzimidazol-5-yl)ethyl]ammonium Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C2=CC3=C(C=C2)N(C(=O)N3C)C)[NH3+])C

Isomeric SMILES

CC1=CC(=NN1C[C@@H](C2=CC3=C(C=C2)N(C(=O)N3C)C)[NH3+])C

InChI

InChI=1S/C16H21N5O/c1-10-7-11(2)21(18-10)9-13(17)12-5-6-14-15(8-12)20(4)16(22)19(14)3/h5-8,13H,9,17H2,1-4H3/p+1/t13-/m0/s1