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

Systemtic Name: 6-(2-methylpropylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-(isobutylamino)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(2-methylpropylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(2-methylpropylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-(isobutylamino)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C16H24N5O2+ MolecularWeight: 318.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=[NH+]C=C(C=C1)C(=O)NCC2=NOC(=N2)C(C)C

Isomeric SMILES

CC(C)CNC1=[NH+]C=C(C=C1)C(=O)NCC2=NOC(=N2)C(C)C

InChI

InChI=1S/C16H23N5O2/c1-10(2)7-17-13-6-5-12(8-18-13)15(22)19-9-14-20-16(11(3)4)23-21-14/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,18)(H,19,22)/p+1