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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-chlorobenzyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H28ClN3O2+2 MolecularWeight: 389.91892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c22-19-6-4-5-18(15-19)16-23-21(26)17-25-11-9-24(10-12-25)13-14-27-20-7-2-1-3-8-20/h1-8,15H,9-14,16-17H2,(H,23,26)/p+2