3-ethyl-5-methyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-ethyl-5-methyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-1,2-oxazole-4-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide CAS Name: 3-ethyl-5-methyl-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-4-isoxazolecarboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4O2/c1-4-18-19(15(2)27-24-18)21(26)23-13-17-11-8-12-22-20(17)25(3)14-16-9-6-5-7-10-16/h5-12H,4,13-14H2,1-3H3,(H,23,26)/p+1