4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-5-olate

Systemtic Name: 4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-5-olate Openeye Name: 4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-5-olate CAS Name: 4,7-dimethyl-6-[(3-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-5-olate IUPAC Name: 4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-5-olate Traditional Name: 2-keto-4,7-dimethyl-6-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-5-olate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C3=C(C=C2C)OC(=O)C=C3C)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C3=C(C=C2C)OC(=O)C=C3C)[O-]

InChI

InChI=1S/C18H23NO3/c1-11-5-4-6-19(9-11)10-14-12(2)7-15-17(18(14)21)13(3)8-16(20)22-15/h7-8,11,21H,4-6,9-10H2,1-3H3