N-[(3-chlorophenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-chlorobenzyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C18H24ClN3OS+2 MolecularWeight: 365.92066

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H22ClN3OS/c19-16-4-1-3-15(11-16)12-20-18(23)14-22-8-6-21(7-9-22)13-17-5-2-10-24-17/h1-5,10-11H,6-9,12-14H2,(H,20,23)/p+2