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

Systemtic Name: 3-(diphenylmethyl)-5-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(diphenylmethyl)-5-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-2-20-15-9-10-16-26(20)17-21-24-23(25-27-21)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20,22H,2,9-10,15-17H2,1H3/p+1/t20-/m0/s1