propyl 4-[8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: propyl 4-[8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: propyl 4-[7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid propyl ester IUPAC Name: propyl 4-[7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoic acid propyl ester Formula: C26H30NO6+ MolecularWeight: 452.5195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC(C4)C)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCC[C@@H](C4)C)O

InChI

InChI=1S/C26H29NO6/c1-3-13-31-26(30)18-6-8-19(9-7-18)33-23-16-32-25-20(24(23)29)10-11-22(28)21(25)15-27-12-4-5-17(2)14-27/h6-11,16-17,28H,3-5,12-15H2,1-2H3/p+1/t17-/m0/s1