4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanethioamide

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanethioamide Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanethioamide CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]butanethioamide IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanethioamide Traditional Name: 4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]thiobutyramide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCC(=S)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCC(=S)N

InChI

InChI=1S/C15H23N3OS/c1-19-14-6-4-13(5-7-14)18-11-9-17(10-12-18)8-2-3-15(16)20/h4-7H,2-3,8-12H2,1H3,(H2,16,20)/p+1