2-piperidin-1-ium-4-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate chloride

Systemtic Name: 2-piperidin-1-ium-4-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate chloride Openeye Name: 2-piperidin-1-ium-4-ylethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate chloride CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-(4-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-1-ium-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate chloride Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid 2-piperidin-1-ium-4-ylethyl ester chloride Formula: C24H26ClNO4 MolecularWeight: 427.92054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCC3CC[NH2+]CC3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCC3CC[NH2+]CC3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H25NO4.ClH/c1-16-21(26)19-8-5-9-20(23(19)29-22(16)18-6-3-2-4-7-18)24(27)28-15-12-17-10-13-25-14-11-17;/h2-9,17,25H,10-15H2,1H3;1H