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

Systemtic Name: methyl 1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H28NO4+ MolecularWeight: 358.45132

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-13(2)17-11-18-16(10-20(23)26-19(18)9-14(17)3)12-22-7-5-15(6-8-22)21(24)25-4/h9-11,13,15H,5-8,12H2,1-4H3/p+1