N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dichlorobenzyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C21H26Cl2N3O2+ MolecularWeight: 423.35604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H25Cl2N3O2/c1-2-28-20-6-4-3-5-19(20)26-11-9-25(10-12-26)15-21(27)24-14-16-7-8-17(22)13-18(16)23/h3-8,13H,2,9-12,14-15H2,1H3,(H,24,27)/p+1