[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C20H24ClN2O2S+ MolecularWeight: 391.93476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-25-19-13-17(26-2)6-7-18(19)20(24)23-10-8-22(9-11-23)14-15-4-3-5-16(21)12-15/h3-7,12-13H,8-11,14H2,1-2H3/p+1