7-methyl-2-oxidanylidene-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate hydrochloride

Systemtic Name: 7-methyl-2-oxidanylidene-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate hydrochloride Openeye Name: 7-methyl-2-oxo-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate hydrochloride CAS Name: 7-methyl-2-oxo-4-phenyl-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-5-olate hydrochloride IUPAC Name: 7-methyl-2-oxo-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate hydrochloride Traditional Name: 2-keto-7-methyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate hydrochloride Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH+]4CCCCC4)[O-].Cl

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH+]4CCCCC4)[O-].Cl

InChI

InChI=1S/C22H23NO3.ClH/c1-15-12-19-21(22(25)18(15)14-23-10-6-3-7-11-23)17(13-20(24)26-19)16-8-4-2-5-9-16;/h2,4-5,8-9,12-13,25H,3,6-7,10-11,14H2,1H3;1H