4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-methyl-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 2-keto-4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C)[O-]

InChI

InChI=1S/C17H21NO3/c1-11-4-3-7-18(9-11)10-14-15(19)6-5-13-12(2)8-16(20)21-17(13)14/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3