6-chloranyl-8-[(dimethylazaniumyl)methyl]-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-8-[(dimethylazaniumyl)methyl]-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-8-[(dimethylammonio)methyl]-3-hexyl-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[(dimethylammonio)methyl]-3-hexyl-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[(dimethylazaniumyl)methyl]-3-hexyl-4-methyl-2-oxochromen-7-olate Traditional Name: 6-chloro-8-[(dimethylammonio)methyl]-3-hexyl-2-keto-4-methyl-chromen-7-olate Formula: C19H26ClNO3 MolecularWeight: 351.86764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+](C)C)[O-])Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+](C)C)[O-])Cl)C

InChI

InChI=1S/C19H26ClNO3/c1-5-6-7-8-9-13-12(2)14-10-16(20)17(22)15(11-21(3)4)18(14)24-19(13)23/h10,22H,5-9,11H2,1-4H3