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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-3-26(4-2)24(28)23(20-8-6-5-7-9-20)27-14-12-25(13-15-27)17-19-10-11-21-22(16-19)30-18-29-21/h5-11,16,23H,3-4,12-15,17-18H2,1-2H3/p+1/t23-/m0/s1