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

Systemtic Name: N-butyl-2-[4-[2-(3,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-[(3,4-dimethylphenyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-4-5-8-21-19(24)14-22-9-11-23(12-10-22)20(25)15-26-18-7-6-16(2)17(3)13-18/h6-7,13H,4-5,8-12,14-15H2,1-3H3,(H,21,24)/p+1