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

Systemtic Name: methyl 4-[2-methyl-7-oxidanyl-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[7-hydroxy-2-methyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-2-methyl-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[7-hydroxy-2-methyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]oxybenzoic acid methyl ester Formula: C23H24NO6+ MolecularWeight: 410.43976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)OC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)OC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H23NO6/c1-14-21(30-16-7-5-15(6-8-16)23(27)28-2)20(26)17-9-10-19(25)18(22(17)29-14)13-24-11-3-4-12-24/h5-10,25H,3-4,11-13H2,1-2H3/p+1