1,3-benzodioxol-5-ylcarbonyl-(3-ethanoylsulfanyl-1-methyl-naphthalen-2-yl)-(oxidanylidenemethylidene)azanium

Systemtic Name: 1,3-benzodioxol-5-ylcarbonyl-(3-ethanoylsulfanyl-1-methyl-naphthalen-2-yl)-(oxidanylidenemethylidene)azanium Openeye Name: (3-acetylsulfanyl-1-methyl-2-naphthyl)-(1,3-benzodioxole-5-carbonyl)-(oxomethylene)ammonium CAS Name: [3-(acetylthio)-1-methyl-2-naphthalenyl]-[1,3-benzodioxol-5-yl(oxo)methyl]-(oxomethylidene)ammonium IUPAC Name: (3-acetylsulfanyl-1-methylnaphthalen-2-yl)-(1,3-benzodioxole-5-carbonyl)-(oxomethylidene)azanium Traditional Name: [3-(acetylthio)-1-methyl-2-naphthyl]-(ketomethylene)-piperonyloyl-ammonium Formula: C22H16NO5S+ MolecularWeight: 406.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C12)SC(=O)C)[N+](=C=O)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=CC2=CC=CC=C12)SC(=O)C)[N+](=C=O)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H16NO5S/c1-13-17-6-4-3-5-15(17)10-20(29-14(2)25)21(13)23(11-24)22(26)16-7-8-18-19(9-16)28-12-27-18/h3-10H,12H2,1-2H3/q+1