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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(cyclohexylmethyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(cyclohexylmethyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(cyclohexylmethyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(cyclohexylmethyl)acetamide Traditional Name: N-(cyclohexylmethyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H33N3O3+2 MolecularWeight: 375.50502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)CNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H31N3O3/c25-21(22-13-17-4-2-1-3-5-17)15-24-10-8-23(9-11-24)14-18-6-7-19-20(12-18)27-16-26-19/h6-7,12,17H,1-5,8-11,13-16H2,(H,22,25)/p+2