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

Systemtic Name: (3-chlorophenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-chlorophenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-chlorophenyl)-[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-chlorophenyl)-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]methanone Formula: C19H22ClN2OS+ MolecularWeight: 361.90878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2OS/c1-24-18-7-5-15(6-8-18)14-21-9-11-22(12-10-21)19(23)16-3-2-4-17(20)13-16/h2-8,13H,9-12,14H2,1H3/p+1