4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-2-oxidanylidene-chromen-7-olate Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-2-oxo-chromen-7-olate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-6-ethyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-2-oxochromen-7-olate Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-2-keto-chromen-7-olate Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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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=C4)Cl)[O-]

Isomeric SMILES

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

InChI

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