1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]isonipecotamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2/c22-20(27)16-10-12-26(13-11-16)19-9-7-17(14-23-19)21-24-18(25-28-21)8-6-15-4-2-1-3-5-15/h1-5,7,9,14,16H,6,8,10-13H2,(H2,22,27)/p+1