1,3-benzodioxol-5-ylmethyl-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O4/c1-11-18(13(3)22)12(2)20-19(11)15(23)9-21(4)8-14-5-6-16-17(7-14)25-10-24-16/h5-7,20H,8-10H2,1-4H3/p+1