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

Systemtic Name: 6-chloranyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C21H22ClN2O4+ MolecularWeight: 401.86338

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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/p+1