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

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H23N2O2S2+ MolecularWeight: 363.51742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S2/c1-22-17-11-15(23-2)3-4-16(17)18(21)20-8-6-19(7-9-20)12-14-5-10-24-13-14/h3-5,10-11,13H,6-9,12H2,1-2H3/p+1