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

Systemtic Name: [(1S,2S)-2-methyl-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)butyl]azanium Openeye Name: [(1S,2S)-2-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butyl]ammonium CAS Name: [(1S,2S)-2-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butyl]ammonium IUPAC Name: [(1S,2S)-2-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butyl]azanium Traditional Name: [(1S,2S)-1-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-methyl-butyl]ammonium Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC2=C(C=C1)NC(=O)N2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC2=C(C=C1)NC(=O)N2)[NH3+]

InChI

InChI=1S/C12H17N3O/c1-3-7(2)11(13)8-4-5-9-10(6-8)15-12(16)14-9/h4-7,11H,3,13H2,1-2H3,(H2,14,15,16)/p+1/t7-,11-/m0/s1