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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)Cl)[O-]

InChI

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