6-chloranyl-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methyl-coumarin Formula: C17H20ClN2O4+ MolecularWeight: 351.8047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4/c1-10-11-7-13(18)14(21)9-15(11)24-17(23)12(10)8-16(22)20-5-3-19(2)4-6-20/h7,9,21H,3-6,8H2,1-2H3/p+1