2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[2-[(4-methoxyphenyl)thio]acetyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)OC

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H25N3O3S/c1-18(2)16(21)12-19-8-10-20(11-9-19)17(22)13-24-15-6-4-14(23-3)5-7-15/h4-7H,8-13H2,1-3H3/p+1