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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-N-phenyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-18(2)26(20-6-4-3-5-7-20)23(27)16-25-12-10-24(11-13-25)15-19-8-9-21-22(14-19)29-17-28-21/h3-9,14,18H,10-13,15-17H2,1-2H3/p+2