6-chloranyl-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-4-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 6-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 6-chloro-3-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 6-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-7-methoxy-4-methyl-coumarin Formula: C19H24ClN2O5+ MolecularWeight: 395.85726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C19H23ClN2O5/c1-12-13-9-15(20)17(26-2)11-16(13)27-19(25)14(12)10-18(24)22-5-3-21(4-6-22)7-8-23/h9,11,23H,3-8,10H2,1-2H3/p+1