6-methyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate

Systemtic Name: 6-methyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Openeye Name: 6-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate CAS Name: 6-methyl-4-oxo-8-(1-piperidin-1-iumylmethyl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-olate IUPAC Name: 6-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Traditional Name: 4-keto-6-methyl-8-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1[O-])C[NH+]3CCCCC3)C4=C(CCC4)C(=O)O2

Isomeric SMILES

CC1=C2C(=CC(=C1[O-])C[NH+]3CCCCC3)C4=C(CCC4)C(=O)O2

InChI

InChI=1S/C19H23NO3/c1-12-17(21)13(11-20-8-3-2-4-9-20)10-16-14-6-5-7-15(14)19(22)23-18(12)16/h10,21H,2-9,11H2,1H3