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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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