3-[4-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: 3-[4-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide CAS Name: 3-[4-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-[4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]propionamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)N

InChI

InChI=1S/C23H27N5O2/c24-20(29)11-12-27-13-15-28(16-14-27)17-21-25-23(26-30-21)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,22H,11-17H2,(H2,24,29)/p+1