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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-3-methyl-1-phenyl-butyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-3-methyl-1-phenyl-butyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide Traditional Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C25H35N3O3+2 MolecularWeight: 425.5637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-19(2)14-22(21-6-4-3-5-7-21)26-25(29)17-28-12-10-27(11-13-28)16-20-8-9-23-24(15-20)31-18-30-23/h3-9,15,19,22H,10-14,16-18H2,1-2H3,(H,26,29)/p+2/t22-/m1/s1