[(2S)-butan-2-yl]-[(1R)-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(1R)-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]azanium Traditional Name: [(1R)-1-(2-keto-1,3-dihydrobenzimidazol-5-yl)ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C(C)C1=CC2=C(C=C1)NC(=O)N2

Isomeric SMILES

CC[C@H](C)[NH2+][C@H](C)C1=CC2=C(C=C1)NC(=O)N2

InChI

InChI=1S/C13H19N3O/c1-4-8(2)14-9(3)10-5-6-11-12(7-10)16-13(17)15-11/h5-9,14H,4H2,1-3H3,(H2,15,16,17)/p+1/t8-,9+/m0/s1