N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-propan-2-yl-pyrazole-4-carboxamide Openeye Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-isopropyl-pyrazole-4-carboxamide CAS Name: N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-1-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide Traditional Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-isopropyl-pyrazole-4-carboxamide Formula: C15H22N5O+ MolecularWeight: 288.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)C

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)C

InChI

InChI=1S/C15H21N5O/c1-11(2)20-10-13(9-18-20)15(21)17-8-12-6-5-7-16-14(12)19(3)4/h5-7,9-11H,8H2,1-4H3,(H,17,21)/p+1