methyl 1-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(7-methyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-keto-7-methyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H21NO4/c1-12-3-4-15-14(10-17(20)23-16(15)9-12)11-19-7-5-13(6-8-19)18(21)22-2/h3-4,9-10,13H,5-8,11H2,1-2H3/p+1