4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]carbothioyl-2-methoxy-phenolate

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]carbothioyl-2-methoxy-phenolate Openeye Name: 4-[4-(3-chlorophenyl)piperazin-4-ium-1-carbothioyl]-2-methoxy-phenolate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-2-methoxyphenolate IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-4-ium-1-carbothioyl]-2-methoxyphenolate Traditional Name: 4-[4-(3-chlorophenyl)piperazin-4-ium-1-carbothioyl]-2-methoxy-phenolate Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C18H19ClN2O2S/c1-23-17-11-13(5-6-16(17)22)18(24)21-9-7-20(8-10-21)15-4-2-3-14(19)12-15/h2-6,11-12,22H,7-10H2,1H3