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

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3S)-thiolan-3-yl]amino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[[(3S)-tetrahydrothiophen-3-yl]amino]pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-[[(3S)-3-thiolanyl]amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3S)-thiolan-3-yl]amino]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[[(3S)-tetrahydrothiophen-3-yl]amino]pyridin-1-ium-3-carboxamide Formula: C16H21N4OS2+ MolecularWeight: 349.49414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NC3CCSC3

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N[C@H]3CCSC3

InChI

InChI=1S/C16H20N4OS2/c1-2-12-10-23-15(20-12)8-18-16(21)11-3-4-14(17-7-11)19-13-5-6-22-9-13/h3-4,7,10,13H,2,5-6,8-9H2,1H3,(H,17,19)(H,18,21)/p+1/t13-/m0/s1