1,3-benzodioxol-5-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-2-mesidino-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+](C)CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)[NH+](C)CC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H26N2O3/c1-13-8-14(2)20(15(3)9-13)22-21(24)16(4)23(5)11-17-6-7-18-19(10-17)26-12-25-18/h6-10,16H,11-12H2,1-5H3,(H,22,24)/p+1/t16-/m0/s1