(6-chloranyl-7-oxidanyl-2-oxidanylidene-4-propyl-chromen-8-yl)methyl-[2-(2-methoxyphenyl)ethyl]azanium

Systemtic Name: (6-chloranyl-7-oxidanyl-2-oxidanylidene-4-propyl-chromen-8-yl)methyl-[2-(2-methoxyphenyl)ethyl]azanium Openeye Name: (6-chloro-7-hydroxy-2-oxo-4-propyl-chromen-8-yl)methyl-[2-(2-methoxyphenyl)ethyl]ammonium CAS Name: (6-chloro-7-hydroxy-2-oxo-4-propyl-1-benzopyran-8-yl)methyl-[2-(2-methoxyphenyl)ethyl]ammonium IUPAC Name: (6-chloro-7-hydroxy-2-oxo-4-propylchromen-8-yl)methyl-[2-(2-methoxyphenyl)ethyl]azanium Traditional Name: (6-chloro-7-hydroxy-2-keto-4-propyl-chromen-8-yl)methyl-[2-(2-methoxyphenyl)ethyl]ammonium Formula: C22H25ClNO4+ MolecularWeight: 402.8912

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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/p+1