4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butanethioamide

Systemtic Name: 4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butanethioamide Openeye Name: 4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butanethioamide CAS Name: 4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]butanethioamide IUPAC Name: 4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butanethioamide Traditional Name: 4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]thiobutyramide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CCCC(=S)N

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCCC(=S)N

InChI

InChI=1S/C15H23N3OS/c1-19-14-6-3-2-5-13(14)18-11-9-17(10-12-18)8-4-7-15(16)20/h2-3,5-6H,4,7-12H2,1H3,(H2,16,20)/p+1