2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(4-chlorophenyl)methyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(4-chlorophenyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24ClN3O3/c22-18-4-1-16(2-5-18)12-23-21(26)14-25-9-7-24(8-10-25)13-17-3-6-19-20(11-17)28-15-27-19/h1-6,11H,7-10,12-15H2,(H,23,26)/p+1