methyl 4-[[4-oxidanyl-7-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate

Systemtic Name: methyl 4-[[4-oxidanyl-7-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Openeye Name: methyl 4-[[4-hydroxy-7-oxo-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate CAS Name: 4-[[4-hydroxy-7-oxo-8-(1-piperidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-hydroxy-7-oxo-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Traditional Name: 4-[[4-hydroxy-7-keto-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoic acid methyl ester Formula: C23H28NO6+ MolecularWeight: 414.47152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H27NO6/c1-28-23(27)15-5-7-16(8-6-15)30-20-14-29-22-17(21(20)26)9-10-19(25)18(22)13-24-11-3-2-4-12-24/h5-8,14,18,22,26H,2-4,9-13H2,1H3/p+1