6-chloranyl-8-[[2-(2-methoxyphenyl)ethylazaniumyl]methyl]-2-oxidanylidene-4-propyl-chromen-7-olate

Systemtic Name: 6-chloranyl-8-[[2-(2-methoxyphenyl)ethylazaniumyl]methyl]-2-oxidanylidene-4-propyl-chromen-7-olate Openeye Name: 6-chloro-8-[[2-(2-methoxyphenyl)ethylammonio]methyl]-2-oxo-4-propyl-chromen-7-olate CAS Name: 6-chloro-8-[[2-(2-methoxyphenyl)ethylammonio]methyl]-2-oxo-4-propyl-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[[2-(2-methoxyphenyl)ethylazaniumyl]methyl]-2-oxo-4-propylchromen-7-olate Traditional Name: 6-chloro-2-keto-8-[[2-(2-methoxyphenyl)ethylammonio]methyl]-4-propyl-chromen-7-olate Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CCC3=CC=CC=C3OC

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CCC3=CC=CC=C3OC

InChI

InChI=1S/C22H24ClNO4/c1-3-6-15-11-20(25)28-22-16(15)12-18(23)21(26)17(22)13-24-10-9-14-7-4-5-8-19(14)27-2/h4-5,7-8,11-12,24,26H,3,6,9-10,13H2,1-2H3