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

Systemtic Name: 3,5-dimethyl-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]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: 3,5-dimethyl-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]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3,5-dimethyl-isoxazole-4-carboxamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2/c1-14-18(15(2)26-23-14)20(25)22-12-17-10-7-11-21-19(17)24(3)13-16-8-5-4-6-9-16/h4-11H,12-13H2,1-3H3,(H,22,25)/p+1