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

Systemtic Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-ethyl-coumarin Formula: C22H24ClN2O2+ MolecularWeight: 383.89116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H23ClN2O2/c1-2-16-7-8-18-17(14-22(26)27-21(18)13-16)15-24-9-11-25(12-10-24)20-6-4-3-5-19(20)23/h3-8,13-14H,2,9-12,15H2,1H3/p+1