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

Systemtic Name: 5-cyclopropyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-cyclopropyl-oxazole-4-carboxamide CAS Name: 5-cyclopropyl-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-cyclopropyl-oxazole-4-carboxamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=C(OC=N3)C4CC4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=C(OC=N3)C4CC4

InChI

InChI=1S/C21H22N4O2/c1-25(13-15-6-3-2-4-7-15)20-17(8-5-11-22-20)12-23-21(26)18-19(16-9-10-16)27-14-24-18/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,23,26)/p+1