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4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]carbothioylphenolate

4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]carbothioylphenolate

Systemtic Name:4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]carbothioylphenolate
Openeye Name:4-[4-(3-chlorophenyl)piperazin-4-ium-1-carbothioyl]phenolate
CAS Name:4-[[4-(3-chlorophenyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]phenolate
IUPAC Name:4-[4-(3-chlorophenyl)piperazin-4-ium-1-carbothioyl]phenolate
Traditional Name:4-[4-(3-chlorophenyl)piperazin-4-ium-1-carbothioyl]phenolate
Formula: C17H17ClN2OS
MolecularWeight: 332.84768
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC(=CC=C2)Cl)C(=S)C3=CC=C(C=C3)[O-]


Isomeric SMILES

C1CN(CC[NH+]1C2=CC(=CC=C2)Cl)C(=S)C3=CC=C(C=C3)[O-]


InChI

InChI=1S/C17H17ClN2OS/c18-14-2-1-3-15(12-14)19-8-10-20(11-9-19)17(22)13-4-6-16(21)7-5-13/h1-7,12,21H,8-11H2


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