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

Systemtic Name: propyl 4-[8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: propyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid propyl ester IUPAC Name: propyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid propyl ester Formula: C27H33N2O7+ MolecularWeight: 497.56012

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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+]4CCN(CC4)CCO)O)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)O)C

InChI

InChI=1S/C27H32N2O7/c1-3-16-34-27(33)19-4-6-20(7-5-19)36-25-18(2)35-26-21(24(25)32)8-9-23(31)22(26)17-29-12-10-28(11-13-29)14-15-30/h4-9,30-31H,3,10-17H2,1-2H3/p+1