N-tert-butyl-2-[4-[2-(4-chlorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-chlorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(4-chlorophenyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C18H27ClN3O2S+ MolecularWeight: 384.94388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O2S/c1-18(2,3)20-16(23)12-21-8-10-22(11-9-21)17(24)13-25-15-6-4-14(19)5-7-15/h4-7H,8-13H2,1-3H3,(H,20,23)/p+1