2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]-methyl-ammonium Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H23N3O4/c1-21-20(25)22-19(24)18(15-6-4-3-5-7-15)23(2)13-14-8-9-16-17(12-14)27-11-10-26-16/h3-9,12,18H,10-11,13H2,1-2H3,(H2,21,22,24,25)/p+1/t18-/m0/s1