N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(1,2-oxazol-3-ylmethylamino)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(1,2-oxazol-3-ylmethylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-(isoxazol-3-ylmethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-(3-isoxazolylmethylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(1,2-oxazol-3-ylmethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-(isoxazol-3-ylmethylamino)pyridin-1-ium-3-carboxamide Formula: C16H18N5O2S+ MolecularWeight: 344.41142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=NOC=C3

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=NOC=C3

InChI

InChI=1S/C16H17N5O2S/c1-2-12-10-24-15(20-12)9-19-16(22)11-3-4-14(17-7-11)18-8-13-5-6-23-21-13/h3-7,10H,2,8-9H2,1H3,(H,17,18)(H,19,22)/p+1