[(2S)-1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[4-(1,3-benzodioxol-5-yloxy)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[4-(1,3-benzodioxol-5-yloxy)anilino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-(1,3-benzodioxol-5-yloxy)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(1,3-benzodioxol-5-yloxy)anilino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[4-(1,3-benzodioxol-5-yloxy)anilino]-2-keto-1-methyl-ethyl]ammonium Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C16H16N2O4/c1-10(17)16(19)18-11-2-4-12(5-3-11)22-13-6-7-14-15(8-13)21-9-20-14/h2-8,10H,9,17H2,1H3,(H,18,19)/p+1/t10-/m0/s1