[(3S)-3-azanyl-4-oxidanylidene-4-phenylmethoxy-butyl]imino-methyl-oxidanidyl-azanium

Systemtic Name: [(3S)-3-azanyl-4-oxidanylidene-4-phenylmethoxy-butyl]imino-methyl-oxidanidyl-azanium Openeye Name: [(3S)-3-amino-4-benzyloxy-4-oxo-butyl]imino-methyl-oxido-ammonium CAS Name: [(3S)-3-amino-4-oxo-4-phenylmethoxybutyl]imino-methyl-oxidoammonium IUPAC Name: [(3S)-3-amino-4-oxo-4-phenylmethoxybutyl]imino-methyl-oxidoazanium Traditional Name: [(3S)-3-amino-4-benzoxy-4-keto-butyl]imino-methyl-oxido-ammonium Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=NCCC(C(=O)OCC1=CC=CC=C1)N)[O-]

Isomeric SMILES

C[N+](=NCC[C@@H](C(=O)OCC1=CC=CC=C1)N)[O-]

InChI

InChI=1S/C12H17N3O3/c1-15(17)14-8-7-11(13)12(16)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/t11-/m0/s1