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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4)CO

InChI

InChI=1S/C21H24N4O2/c26-15-17-7-4-12-25(14-17)20-11-9-18(13-22-20)21-23-19(24-27-21)10-8-16-5-2-1-3-6-16/h1-3,5-6,9,11,13,17,26H,4,7-8,10,12,14-15H2/p+1/t17-/m0/s1