2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-2-methyl-1-phenyl-propyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-2-methyl-1-phenyl-propyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-2-methyl-1-phenyl-propyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-[(1S)-2-methyl-1-phenylpropyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-2-methyl-1-phenylpropyl]acetamide Traditional Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-18(2)24(20-6-4-3-5-7-20)25-23(28)16-27-12-10-26(11-13-27)15-19-8-9-21-22(14-19)30-17-29-21/h3-9,14,18,24H,10-13,15-17H2,1-2H3,(H,25,28)/p+1/t24-/m0/s1