1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-13-5-7-17(24-4)16(9-13)21-20(23)14(2)22(3)11-15-6-8-18-19(10-15)26-12-25-18/h5-10,14H,11-12H2,1-4H3,(H,21,23)/p+1/t14-/m0/s1