methyl 1-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H21ClNO4+ MolecularWeight: 350.81664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)C(=O)OC)Cl

InChI

InChI=1S/C18H20ClNO4/c1-11-7-16-14(9-15(11)19)13(8-17(21)24-16)10-20-5-3-12(4-6-20)18(22)23-2/h7-9,12H,3-6,10H2,1-2H3/p+1