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

Systemtic Name: propyl 4-[8-(azepan-1-ium-1-ylmethyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: propyl 4-[8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-(1-azepan-1-iumylmethyl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid propyl ester IUPAC Name: propyl 4-[8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-4-keto-2-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+]4CCCCCC4)O)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C

InChI

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