2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-(4-chlorobenzyl)piperazine-1,4-diium-1-yl]-N-propargyl-acetamide Formula: C16H22ClN3O+2 MolecularWeight: 307.81838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C#CCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN3O/c1-2-7-18-16(21)13-20-10-8-19(9-11-20)12-14-3-5-15(17)6-4-14/h1,3-6H,7-13H2,(H,18,21)/p+2