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

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-benzyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(piperonylamino)ethyl]ammonium Formula: C17H19N2O3+ MolecularWeight: 299.34436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c18-14(8-12-4-2-1-3-5-12)17(20)19-10-13-6-7-15-16(9-13)22-11-21-15/h1-7,9,14H,8,10-11,18H2,(H,19,20)/p+1/t14-/m0/s1