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

Systemtic Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-4-ol Openeye Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-4-ol CAS Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)-2-pyridin-1-iumyl]-4-piperidinol IUPAC Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-4-ol Traditional Name: 1-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]piperidin-4-ol Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1O)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2/c25-17-10-12-24(13-11-17)19-9-7-16(14-21-19)20-22-18(23-26-20)8-6-15-4-2-1-3-5-15/h1-5,7,9,14,17,25H,6,8,10-13H2/p+1