[(2S)-1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-2-yl]methanol

Systemtic Name: [(2S)-1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-2-yl]methanol Openeye Name: [(2S)-1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-2-piperidyl]methanol CAS Name: [(2S)-1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)-2-pyridin-1-iumyl]-2-piperidinyl]methanol IUPAC Name: [(2S)-1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-2-yl]methanol Traditional Name: [(2S)-1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-2-piperidyl]methanol Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN([C@@H](C1)CO)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2/c26-15-18-8-4-5-13-25(18)20-12-10-17(14-22-20)21-23-19(24-27-21)11-9-16-6-2-1-3-7-16/h1-3,6-7,10,12,14,18,26H,4-5,8-9,11,13,15H2/p+1/t18-/m0/s1