N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-naphthylmethyl)piperazin-1-ium-2-yl]-N-piperonyl-acetamide Formula: C25H26N3O4+ MolecularWeight: 432.49164

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H25N3O4/c29-24(27-14-17-6-8-22-23(12-17)32-16-31-22)13-21-25(30)26-9-10-28(21)15-18-5-7-19-3-1-2-4-20(19)11-18/h1-8,11-12,21H,9-10,13-16H2,(H,26,30)(H,27,29)/p+1/t21-/m1/s1