N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazine-1,4-diium-1-yl-ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazine-1,4-diium-1-yl-ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazine-1,4-diium-1-yl-acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-piperazine-1,4-diium-1-ylacetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-piperazine-1,4-diium-1-yl-acetamide Formula: C14H22ClN3OS+2 MolecularWeight: 315.86198

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC(=O)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC(=O)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H20ClN3OS/c15-12-1-3-13(4-2-12)20-10-7-17-14(19)11-18-8-5-16-6-9-18/h1-4,16H,5-11H2,(H,17,19)/p+2