6-[(2-methylphenyl)methylamino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(2-methylphenyl)methylamino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(o-tolylmethylamino)pyridin-1-ium-3-carboxamide CAS Name: 6-[(2-methylphenyl)methylamino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(2-methylphenyl)methylamino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-[(2-methylbenzyl)amino]pyridin-1-ium-3-carboxamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=[NH+]C=C(C=C2)C(=O)NCC3=NOC(=N3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CNC2=[NH+]C=C(C=C2)C(=O)NCC3=NOC(=N3)C(C)C

InChI

InChI=1S/C20H23N5O2/c1-13(2)20-24-18(25-27-20)12-23-19(26)16-8-9-17(22-11-16)21-10-15-7-5-4-6-14(15)3/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)(H,23,26)/p+1