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

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-(2-pyridylmethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-(2-pyridinylmethylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(pyridin-2-ylmethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-(2-pyridylmethylamino)pyridin-1-ium-3-carboxamide Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=N3

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=N3

InChI

InChI=1S/C18H19N5OS/c1-2-14-12-25-17(23-14)11-22-18(24)13-6-7-16(20-9-13)21-10-15-5-3-4-8-19-15/h3-9,12H,2,10-11H2,1H3,(H,20,21)(H,22,24)/p+1