[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-(3-pyridylmethyl)ammonium CAS Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-(3-pyridylmethyl)ammonium Formula: C12H20N3O+ MolecularWeight: 222.3067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O/c1-9(2)15-12(16)10(3)14-8-11-5-4-6-13-7-11/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)/p+1/t10-/m0/s1