1-(3-chlorophenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C18H22ClN2S+ MolecularWeight: 333.89868

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN2S/c1-22-18-7-5-15(6-8-18)14-20-9-11-21(12-10-20)17-4-2-3-16(19)13-17/h2-8,13H,9-12,14H2,1H3/p+1