1,3-benzodioxol-5-ylmethyl-[(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(2-phenylanilino)ethyl]-piperonyl-ammonium Formula: C23H23N2O3+ MolecularWeight: 375.44032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O3/c1-16(24-14-17-11-12-21-22(13-17)28-15-27-21)23(26)25-20-10-6-5-9-19(20)18-7-3-2-4-8-18/h2-13,16,24H,14-15H2,1H3,(H,25,26)/p+1/t16-/m1/s1