ethyl-[[6-methoxy-7-methyl-5-[(E)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]carbamoyl]-dimethyl-azanium

Systemtic Name: ethyl-[[6-methoxy-7-methyl-5-[(E)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]carbamoyl]-dimethyl-azanium Openeye Name: ethyl-[[5-[(E)-6-hydroxy-3-methyl-6-oxo-hex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]carbamoyl]-dimethyl-ammonium CAS Name: ethyl-[[[5-[(E)-6-hydroxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]amino]-oxomethyl]-dimethylammonium IUPAC Name: ethyl-[[5-[(E)-6-hydroxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]carbamoyl]-dimethylazanium Traditional Name: ethyl-[[5-[(E)-6-hydroxy-6-keto-3-methyl-hex-2-enyl]-3-keto-6-methoxy-7-methyl-phthalan-4-yl]carbamoyl]-dimethyl-ammonium Formula: C22H31N2O6+ MolecularWeight: 419.49134

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)C(=O)NC1=C(C(=C(C2=C1C(=O)OC2)C)OC)CC=C(C)CCC(=O)O

Isomeric SMILES

CC[N+](C)(C)C(=O)NC1=C(C(=C(C2=C1C(=O)OC2)C)OC)C/C=C(\C)/CCC(=O)O

InChI

InChI=1S/C22H30N2O6/c1-7-24(4,5)22(28)23-19-15(10-8-13(2)9-11-17(25)26)20(29-6)14(3)16-12-30-21(27)18(16)19/h8H,7,9-12H2,1-6H3,(H-,23,25,26,27,28)/p+1/b13-8+