2-[4-[2-(3,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[(3,4-dimethylphenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-4-7-20-18(23)13-21-8-10-22(11-9-21)19(24)14-25-17-6-5-15(2)16(3)12-17/h5-6,12H,4,7-11,13-14H2,1-3H3,(H,20,23)/p+1