4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: N-phenyl-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C26H28N3O3+ MolecularWeight: 430.51882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O3/c30-26(27-23-4-2-1-3-5-23)22-9-6-20(7-10-22)17-28-12-14-29(15-13-28)18-21-8-11-24-25(16-21)32-19-31-24/h1-11,16H,12-15,17-19H2,(H,27,30)/p+1