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

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide Traditional Name: N-benzyl-2-[4-(4-chlorobenzyl)piperazine-1,4-diium-1-yl]-N-methyl-acetamide Formula: C21H28ClN3O+2 MolecularWeight: 373.91952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O/c1-23(15-18-5-3-2-4-6-18)21(26)17-25-13-11-24(12-14-25)16-19-7-9-20(22)10-8-19/h2-10H,11-17H2,1H3/p+2