N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-[[(3S)-thiolan-3-yl]amino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-[[(3S)-thiolan-3-yl]amino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-[[(3S)-tetrahydrothiophen-3-yl]amino]pyridin-1-ium-3-carboxamide CAS Name: N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-[[(3S)-3-thiolanyl]amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-[[(3S)-thiolan-3-yl]amino]pyridin-1-ium-3-carboxamide Traditional Name: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-[[(3S)-tetrahydrothiophen-3-yl]amino]pyridin-1-ium-3-carboxamide Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NO1)CNC(=O)C2=C[NH+]=C(C=C2)NC3CCSC3

Isomeric SMILES

CC(C)C1=NC(=NO1)CNC(=O)C2=C[NH+]=C(C=C2)N[C@H]3CCSC3

InChI

InChI=1S/C16H21N5O2S/c1-10(2)16-20-14(21-23-16)8-18-15(22)11-3-4-13(17-7-11)19-12-5-6-24-9-12/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,17,19)(H,18,22)/p+1/t12-/m0/s1