[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]-(3-pyridylmethyl)ammonium CAS Name: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl]-(3-pyridylmethyl)ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)[NH2+]CC1=CN=CC=C1

Isomeric SMILES

C[C@H](C(=O)NCC(C)C)[NH2+]CC1=CN=CC=C1

InChI

InChI=1S/C13H21N3O/c1-10(2)7-16-13(17)11(3)15-9-12-5-4-6-14-8-12/h4-6,8,10-11,15H,7,9H2,1-3H3,(H,16,17)/p+1/t11-/m1/s1