4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C22H24ClN2O2+ MolecularWeight: 383.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C

InChI

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