[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-2-(3-methoxypropylamino)-1-methyl-2-oxo-ethyl]-(4-pyridylmethyl)ammonium CAS Name: [(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-2-keto-2-(3-methoxypropylamino)-1-methyl-ethyl]-(4-pyridylmethyl)ammonium Formula: C13H22N3O2+ MolecularWeight: 252.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2/c1-11(13(17)15-6-3-9-18-2)16-10-12-4-7-14-8-5-12/h4-5,7-8,11,16H,3,6,9-10H2,1-2H3,(H,15,17)/p+1/t11-/m0/s1