(8-chloranyl-7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: (8-chloranyl-7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: (8-chloro-7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: (8-chloro-7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-6-yl)methyl-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: (8-chloro-7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(8-chloro-7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methyl]ammonium Formula: C22H21ClNO5+ MolecularWeight: 414.85884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=C3C(=CC(=C2O)Cl)C4=C(CCC4)C(=O)O3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=C3C(=CC(=C2O)Cl)C4=C(CCC4)C(=O)O3

InChI

InChI=1S/C22H20ClNO5/c1-28-21(26)13-7-5-12(6-8-13)10-24-11-17-19(25)18(23)9-16-14-3-2-4-15(14)22(27)29-20(16)17/h5-9,24-25H,2-4,10-11H2,1H3/p+1