(3S)-1-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H24N4O2/c23-21(27)18-12-7-13-26(14-18)15-19-24-22(25-28-19)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20H,7,12-15H2,(H2,23,27)/p+1/t18-/m0/s1