6-chloranyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-2-keto-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-7-olate Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)[O-]

InChI

InChI=1S/C21H21ClN2O4/c1-27-19-5-3-2-4-17(19)24-8-6-23(7-9-24)13-14-10-21(26)28-20-12-18(25)16(22)11-15(14)20/h2-5,10-12,25H,6-9,13H2,1H3