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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxo-chromen-6-olate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxochromen-6-olate Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-keto-7-methyl-chromen-6-olate Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)[O-]

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)[O-]

InChI

InChI=1S/C21H21ClN2O3/c1-14-9-20-18(12-19(14)25)15(10-21(26)27-20)13-23-5-7-24(8-6-23)17-4-2-3-16(22)11-17/h2-4,9-12,25H,5-8,13H2,1H3