4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-6-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethylchromen-2-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-coumarin Formula: C22H24ClN2O2+ MolecularWeight: 383.89116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

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