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

Systemtic Name: (3S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-[5-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-3-carboxamide CAS Name: (3S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-[5-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]nipecotamide Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C2=C[NH+]=C(C=C2)N3CCCC(C3)C(=O)N

Isomeric SMILES

CC(C)C1=NOC(=N1)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C16H21N5O2/c1-10(2)15-19-16(23-20-15)11-5-6-13(18-8-11)21-7-3-4-12(9-21)14(17)22/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,17,22)/p+1/t12-/m0/s1