propyl 4-[2-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6/c1-4-15-32-27(31)19-8-10-20(11-9-19)34-25-18(3)33-26-21(24(25)30)12-13-23(29)22(26)16-28-14-6-5-7-17(28)2/h8-13,17,29H,4-7,14-16H2,1-3H3/p+1/t17-/m0/s1