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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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