6-oxidanylidene-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-olate

Systemtic Name: 6-oxidanylidene-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-olate Openeye Name: 6-oxo-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-olate CAS Name: 6-oxo-4-(1-piperidin-1-iumylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c][1]benzopyran-3-olate IUPAC Name: 6-oxo-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-olate Traditional Name: 6-keto-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-olate Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3C[NH+]4CCCCC4)[O-]

Isomeric SMILES

C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C20H25NO3/c22-18-10-9-15-14-7-3-1-4-8-16(14)20(23)24-19(15)17(18)13-21-11-5-2-6-12-21/h9-10,22H,1-8,11-13H2