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

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

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

Isomeric SMILES

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

InChI

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