6,7-bis(chloranyl)-3-(2-diethylaminoethyloxycarbonyl)-4-[(dimethylazaniumyl)methyl]-2-methyl-1-benzofuran-5-olate

Systemtic Name: 6,7-bis(chloranyl)-3-(2-diethylaminoethyloxycarbonyl)-4-[(dimethylazaniumyl)methyl]-2-methyl-1-benzofuran-5-olate Openeye Name: 6,7-dichloro-3-(2-diethylaminoethyloxycarbonyl)-4-[(dimethylammonio)methyl]-2-methyl-benzofuran-5-olate CAS Name: 6,7-dichloro-3-[2-diethylaminoethyloxy(oxo)methyl]-4-[(dimethylammonio)methyl]-2-methyl-5-benzofuranolate IUPAC Name: 6,7-dichloro-3-(2-diethylaminoethyloxycarbonyl)-4-[(dimethylazaniumyl)methyl]-2-methyl-1-benzofuran-5-olate Traditional Name: 6,7-dichloro-3-(2-diethylaminoethyloxycarbonyl)-4-[(dimethylammonio)methyl]-2-methyl-benzofuran-5-olate Formula: C19H26Cl2N2O4 MolecularWeight: 417.32674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)C[NH+](C)C)[O-])Cl)Cl)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)C[NH+](C)C)[O-])Cl)Cl)C

InChI

InChI=1S/C19H26Cl2N2O4/c1-6-23(7-2)8-9-26-19(25)13-11(3)27-18-14(13)12(10-22(4)5)17(24)15(20)16(18)21/h24H,6-10H2,1-5H3