3-(1,3-benzodioxol-5-yl)-5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[[(2S)-2-phenethyl-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[[(2S)-2-phenethylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCC2=CC=CC=C2)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCC2=CC=CC=C2)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O3/c1-2-6-17(7-3-1)9-11-19-8-4-5-13-26(19)15-22-24-23(25-29-22)18-10-12-20-21(14-18)28-16-27-20/h1-3,6-7,10,12,14,19H,4-5,8-9,11,13,15-16H2/p+1/t19-/m0/s1