6-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]-2-methyl-3-oxidanyl-phenolate

Systemtic Name: 6-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]-2-methyl-3-oxidanyl-phenolate Openeye Name: 6-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-3-hydroxy-2-methyl-phenolate CAS Name: 6-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-hydroxy-2-methylphenolate IUPAC Name: 6-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-3-hydroxy-2-methylphenolate Traditional Name: 6-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-3-hydroxy-2-methyl-phenolate Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1[O-])C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC1=C(C=CC(=C1[O-])C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C19H21ClN2O3/c1-13-17(23)6-5-16(19(13)25)18(24)12-21-7-9-22(10-8-21)15-4-2-3-14(20)11-15/h2-6,11,23,25H,7-10,12H2,1H3