4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-5-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-5-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-7-methyl-chromen-2-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-hydroxy-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-7-methylchromen-2-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-7-methyl-coumarin Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C(=C1)O

InChI

InChI=1S/C21H21ClN2O3/c1-14-9-18(25)21-15(11-20(26)27-19(21)10-14)13-23-5-7-24(8-6-23)17-4-2-3-16(22)12-17/h2-4,9-12,25H,5-8,13H2,1H3/p+1