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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: [(1S)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl]-methyl-piperonyl-ammonium Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26N2O4/c1-3-29-21-12-8-7-11-20(21)26-25(28)24(19-9-5-4-6-10-19)27(2)16-18-13-14-22-23(15-18)31-17-30-22/h4-15,24H,3,16-17H2,1-2H3,(H,26,28)/p+1/t24-/m0/s1