[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-benzyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-benzyl-2-keto-ethyl]ammonium Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C16H16N2O3/c17-13(8-11-4-2-1-3-5-11)16(19)18-12-6-7-14-15(9-12)21-10-20-14/h1-7,9,13H,8,10,17H2,(H,18,19)/p+1/t13-/m0/s1