4-butyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 4-butyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 4-butyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 4-butyl-2-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 4-butyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-butyl-2-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C19H25NO3/c1-2-3-7-14-12-18(22)23-19-15(14)8-9-17(21)16(19)13-20-10-5-4-6-11-20/h8-9,12,21H,2-7,10-11,13H2,1H3