1,3-benzodioxol-5-ylmethyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]-piperonyl-ammonium Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O4/c1-19-18(23)21-17(22)16(13-5-3-2-4-6-13)20-10-12-7-8-14-15(9-12)25-11-24-14/h2-9,16,20H,10-11H2,1H3,(H2,19,21,22,23)/p+1/t16-/m0/s1