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

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(2-methylthiazol-4-yl)methylamino]pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-[(2-methyl-4-thiazolyl)methylamino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(2-methylthiazol-4-yl)methylamino]pyridin-1-ium-3-carboxamide Formula: C17H20N5OS2+ MolecularWeight: 374.5036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5OS2/c1-3-13-9-25-16(22-13)8-20-17(23)12-4-5-15(18-6-12)19-7-14-10-24-11(2)21-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,19)(H,20,23)/p+1