6-chloranyl-8-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-8-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-8-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-chloro-8-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-8-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 6-chloro-8-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-4-methyl-coumarin Formula: C19H22ClN2O4+ MolecularWeight: 377.84198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C19H21ClN2O4/c1-11-8-16(23)26-18-13(11)9-15(20)17(24)14(18)10-21-4-6-22(7-5-21)19(25)12-2-3-12/h8-9,12,24H,2-7,10H2,1H3/p+1