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

Systemtic Name: [(1S,2S)-1-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-phenyl-butyl]azanium Openeye Name: [(1S,2S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenyl-butyl]ammonium CAS Name: [(1S,2S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutyl]ammonium IUPAC Name: [(1S,2S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutyl]azanium Traditional Name: [(1S,2S)-1-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-phenyl-butyl]ammonium Formula: C17H20N3O+ MolecularWeight: 282.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C2=CC3=C(C=C2)NC(=O)N3)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)[C@@H](C2=CC3=C(C=C2)NC(=O)N3)[NH3+]

InChI

InChI=1S/C17H19N3O/c1-2-13(11-6-4-3-5-7-11)16(18)12-8-9-14-15(10-12)20-17(21)19-14/h3-10,13,16H,2,18H2,1H3,(H2,19,20,21)/p+1/t13-,16+/m0/s1