2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H26ClN3O3+2 MolecularWeight: 403.90244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-15-2-4-17(11-18(15)22)23-21(26)13-25-8-6-24(7-9-25)12-16-3-5-19-20(10-16)28-14-27-19/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,26)/p+2