5-[6-[(3S)-3-methoxypiperidin-1-yl]pyridin-1-ium-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole

Systemtic Name: 5-[6-[(3S)-3-methoxypiperidin-1-yl]pyridin-1-ium-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole Openeye Name: 3-isobutyl-5-[6-[(3S)-3-methoxy-1-piperidyl]pyridin-1-ium-3-yl]-1,2,4-oxadiazole CAS Name: 5-[6-[(3S)-3-methoxy-1-piperidinyl]-3-pyridin-1-iumyl]-3-(2-methylpropyl)-1,2,4-oxadiazole IUPAC Name: 5-[6-[(3S)-3-methoxypiperidin-1-yl]pyridin-1-ium-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole Traditional Name: 3-isobutyl-5-[6-[(3S)-3-methoxypiperidino]pyridin-1-ium-3-yl]-1,2,4-oxadiazole Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)C2=C[NH+]=C(C=C2)N3CCCC(C3)OC

Isomeric SMILES

CC(C)CC1=NOC(=N1)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)OC

InChI

InChI=1S/C17H24N4O2/c1-12(2)9-15-19-17(23-20-15)13-6-7-16(18-10-13)21-8-4-5-14(11-21)22-3/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3/p+1/t14-/m0/s1