5-methyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-pyrazole-4-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-methyl-1H-pyrazole-4-carboxamide CAS Name: 5-methyl-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-1H-pyrazole-4-carboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-methyl-1H-pyrazole-4-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-methyl-1H-pyrazole-4-carboxamide Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O/c1-14-17(12-22-23-14)19(25)21-11-16-9-6-10-20-18(16)24(2)13-15-7-4-3-5-8-15/h3-10,12H,11,13H2,1-2H3,(H,21,25)(H,22,23)/p+1