8-[[cyclohexyl(methyl)azaniumyl]methyl]-3-(2-methoxyphenyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[[cyclohexyl(methyl)azaniumyl]methyl]-3-(2-methoxyphenyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[[cyclohexyl(methyl)ammonio]methyl]-3-(2-methoxyphenyl)-4-oxo-chromen-7-olate CAS Name: 8-[[cyclohexyl(methyl)ammonio]methyl]-3-(2-methoxyphenyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[cyclohexyl(methyl)azaniumyl]methyl]-3-(2-methoxyphenyl)-4-oxochromen-7-olate Traditional Name: 8-[[cyclohexyl(methyl)ammonio]methyl]-4-keto-3-(2-methoxyphenyl)chromen-7-olate Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3OC)[O-])C4CCCCC4

Isomeric SMILES

C[NH+](CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3OC)[O-])C4CCCCC4

InChI

InChI=1S/C24H27NO4/c1-25(16-8-4-3-5-9-16)14-19-21(26)13-12-18-23(27)20(15-29-24(18)19)17-10-6-7-11-22(17)28-2/h6-7,10-13,15-16,26H,3-5,8-9,14H2,1-2H3