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

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-13(2)21(15-7-5-4-6-8-15)22-11-20(25)23-17-10-19-18(26-12-27-19)9-16(17)14(3)24/h4-10,13,21-22H,11-12H2,1-3H3,(H,23,25)/p+1/t21-/m1/s1