[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C19H20N2O4/c1-12(14-6-4-3-5-7-14)20-10-19(23)21-16-9-18-17(24-11-25-18)8-15(16)13(2)22/h3-9,12,20H,10-11H2,1-2H3,(H,21,23)/p+1/t12-/m1/s1