3,4-dimethyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3,4-dimethyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3,4-dimethyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3,4-dimethyl-2-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3,4-dimethyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 2-keto-3,4-dimethyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-])C

InChI

InChI=1S/C17H21NO3/c1-11-12(2)17(20)21-16-13(11)6-7-15(19)14(16)10-18-8-4-3-5-9-18/h6-7,19H,3-5,8-10H2,1-2H3