4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxo-chromen-7-olate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-8-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxochromen-7-olate Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-keto-8-methyl-chromen-7-olate Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)[O-]

InChI

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