1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-methyl-piperonyl-ammonium Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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