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

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-[(1-methyl-4-pyrazolyl)methylamino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(1-methylpyrazol-4-yl)methylamino]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)NCC3=CN(N=C3)C

Isomeric SMILES

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

InChI

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