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

Systemtic Name: 1-ethyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]pyrazole-4-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-ethyl-pyrazole-4-carboxamide CAS Name: 1-ethyl-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-ethylpyrazole-4-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-ethyl-pyrazole-4-carboxamide Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O/c1-3-25-15-18(13-23-25)20(26)22-12-17-10-7-11-21-19(17)24(2)14-16-8-5-4-6-9-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,26)/p+1