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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-piperonyl-ammonium Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H24N2O3/c1-16-10-17(2)12-20(11-16)26-24(27)23(19-6-4-3-5-7-19)25-14-18-8-9-21-22(13-18)29-15-28-21/h3-13,23,25H,14-15H2,1-2H3,(H,26,27)/p+1/t23-/m0/s1