(2-methoxy-4-methylsulfanyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-24-19-14-17(25-2)8-9-18(19)20(23)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1