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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

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