6-[(dimethylazaniumyl)methyl]-8-methyl-2-oxidanylidene-4-propyl-chromen-7-olate

Systemtic Name: 6-[(dimethylazaniumyl)methyl]-8-methyl-2-oxidanylidene-4-propyl-chromen-7-olate Openeye Name: 6-[(dimethylammonio)methyl]-8-methyl-2-oxo-4-propyl-chromen-7-olate CAS Name: 6-[(dimethylammonio)methyl]-8-methyl-2-oxo-4-propyl-1-benzopyran-7-olate IUPAC Name: 6-[(dimethylazaniumyl)methyl]-8-methyl-2-oxo-4-propylchromen-7-olate Traditional Name: 6-[(dimethylammonio)methyl]-2-keto-8-methyl-4-propyl-chromen-7-olate Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+](C)C)[O-])C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+](C)C)[O-])C

InChI

InChI=1S/C16H21NO3/c1-5-6-11-8-14(18)20-16-10(2)15(19)12(7-13(11)16)9-17(3)4/h7-8,19H,5-6,9H2,1-4H3