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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-indan-2-yl-3-keto-piperazin-1-ium-2-yl]-N-piperonyl-acetamide Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C23H25N3O4/c27-22(25-13-15-5-6-20-21(9-15)30-14-29-20)12-19-23(28)24-7-8-26(19)18-10-16-3-1-2-4-17(16)11-18/h1-6,9,18-19H,7-8,10-14H2,(H,24,28)(H,25,27)/p+1/t19-/m1/s1