5-(azocan-1-ium-1-ylmethyl)-3-(diphenylmethyl)-1,2,4-oxadiazole

Systemtic Name: 5-(azocan-1-ium-1-ylmethyl)-3-(diphenylmethyl)-1,2,4-oxadiazole Openeye Name: 5-(azocan-1-ium-1-ylmethyl)-3-benzhydryl-1,2,4-oxadiazole CAS Name: 5-(1-azocan-1-iumylmethyl)-3-(diphenylmethyl)-1,2,4-oxadiazole IUPAC Name: 5-(azocan-1-ium-1-ylmethyl)-3-benzhydryl-1,2,4-oxadiazole Traditional Name: 5-(azocan-1-ium-1-ylmethyl)-3-benzhydryl-1,2,4-oxadiazole Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-2-10-16-26(17-11-3-1)18-21-24-23(25-27-21)22(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,22H,1-3,10-11,16-18H2/p+1