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

Systemtic Name: 2-[4-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-19(2)26-22(31)17-29-13-15-30(16-14-29)18-23-27-25(28-32-23)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,24H,13-18H2,1-2H3,(H,26,31)/p+1