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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-cyclopropylethyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(1R)-1-cyclopropylethyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C19H29N3O3+2 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C1CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H27N3O3/c1-14(16-3-4-16)20-19(23)12-22-8-6-21(7-9-22)11-15-2-5-17-18(10-15)25-13-24-17/h2,5,10,14,16H,3-4,6-9,11-13H2,1H3,(H,20,23)/p+2/t14-/m1/s1