N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(1H-pyrazol-5-ylmethyl)amino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(1H-pyrazol-5-ylmethyl)amino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[methyl(1H-pyrazol-5-ylmethyl)amino]pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-[methyl(1H-pyrazol-5-ylmethyl)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(1H-pyrazol-5-ylmethyl)amino]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[methyl(1H-pyrazol-5-ylmethyl)amino]pyridin-1-ium-3-carboxamide Formula: C17H21N6OS+ MolecularWeight: 357.45324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=NN3

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=NN3

InChI

InChI=1S/C17H20N6OS/c1-3-13-11-25-16(21-13)9-19-17(24)12-4-5-15(18-8-12)23(2)10-14-6-7-20-22-14/h4-8,11H,3,9-10H2,1-2H3,(H,19,24)(H,20,22)/p+1