cyclopropylmethyl-[[3-(4-ethoxycarbonylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]-propyl-azanium

Systemtic Name: cyclopropylmethyl-[[3-(4-ethoxycarbonylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]-propyl-azanium Openeye Name: cyclopropylmethyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methyl]-propyl-ammonium CAS Name: cyclopropylmethyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl]-propylammonium IUPAC Name: cyclopropylmethyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxochromen-8-yl]methyl]-propylazanium Traditional Name: [3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-chromen-8-yl]methyl-(cyclopropylmethyl)-propyl-ammonium Formula: C26H30NO6+ MolecularWeight: 452.5195

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)O

Isomeric SMILES

CCC[NH+](CC1CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)O

InChI

InChI=1S/C26H29NO6/c1-3-13-27(14-17-5-6-17)15-21-22(28)12-11-20-24(29)23(16-32-25(20)21)33-19-9-7-18(8-10-19)26(30)31-4-2/h7-12,16-17,28H,3-6,13-15H2,1-2H3/p+1