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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-benzylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[2-(phenylmethyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-benzylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(2-benzylanilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3/c1-26(15-19-11-12-22-23(14-19)29-17-28-22)16-24(27)25-21-10-6-5-9-20(21)13-18-7-3-2-4-8-18/h2-12,14H,13,15-17H2,1H3,(H,25,27)/p+1