5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(3S)-thiolan-3-yl]pyridin-1-ium-2-amine

Systemtic Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(3S)-thiolan-3-yl]pyridin-1-ium-2-amine Openeye Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(3S)-tetrahydrothiophen-3-yl]pyridin-1-ium-2-amine CAS Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(3S)-3-thiolanyl]-2-pyridin-1-iumamine IUPAC Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(3S)-thiolan-3-yl]pyridin-1-ium-2-amine Traditional Name: [5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-[(3S)-tetrahydrothiophen-3-yl]amine Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1NC2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

C1CSC[C@H]1NC2=[NH+]C=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C18H18N4O2S/c1-2-4-15(5-3-1)23-11-17-21-18(24-22-17)13-6-7-16(19-10-13)20-14-8-9-25-12-14/h1-7,10,14H,8-9,11-12H2,(H,19,20)/p+1/t14-/m0/s1