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

Systemtic Name: [(2S)-1-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[2-cyanoethyl(3-pyridylmethyl)amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[2-cyanoethyl(3-pyridinylmethyl)amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[2-cyanoethyl(3-pyridylmethyl)amino]-2-keto-1-methyl-ethyl]ammonium Formula: C12H17N4O+ MolecularWeight: 233.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)CC1=CN=CC=C1)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N(CCC#N)CC1=CN=CC=C1)[NH3+]

InChI

InChI=1S/C12H16N4O/c1-10(14)12(17)16(7-3-5-13)9-11-4-2-6-15-8-11/h2,4,6,8,10H,3,7,9,14H2,1H3/p+1/t10-/m0/s1