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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C24H33N3O3+2 MolecularWeight: 411.53712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H31N3O3/c1-19(7-8-20-5-3-2-4-6-20)25-24(28)17-27-13-11-26(12-14-27)16-21-9-10-22-23(15-21)30-18-29-22/h2-6,9-10,15,19H,7-8,11-14,16-18H2,1H3,(H,25,28)/p+2/t19-/m1/s1