ethyl 4-[8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C27H32NO6+ MolecularWeight: 466.54608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC(CC(C4)C)C)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4C[C@H](C[C@@H](C4)C)C)O)C

InChI

InChI=1S/C27H31NO6/c1-5-32-27(31)19-6-8-20(9-7-19)34-25-18(4)33-26-21(24(25)30)10-11-23(29)22(26)15-28-13-16(2)12-17(3)14-28/h6-11,16-17,29H,5,12-15H2,1-4H3/p+1/t16-,17-/m0/s1