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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: N-[(1S)-1-phenylethyl]-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-17(19-5-3-2-4-6-19)23-22(26)15-25-11-9-24(10-12-25)14-18-7-8-20-21(13-18)28-16-27-20/h2-8,13,17H,9-12,14-16H2,1H3,(H,23,26)/p+1/t17-/m0/s1