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

Systemtic Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C22H23ClN2O3/c1-2-15-11-17-16(12-22(27)28-21(17)13-20(15)26)14-24-7-9-25(10-8-24)19-6-4-3-5-18(19)23/h3-6,11-13,26H,2,7-10,14H2,1H3/p+1