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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1S)-1-benzyl-2-oxo-propyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C24H31N3O4+2 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29N3O4/c1-18(28)21(13-19-5-3-2-4-6-19)25-24(29)16-27-11-9-26(10-12-27)15-20-7-8-22-23(14-20)31-17-30-22/h2-8,14,21H,9-13,15-17H2,1H3,(H,25,29)/p+2/t21-/m0/s1