[(2S)-3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-[2-cyanoethyl(3-pyridylmethyl)amino]-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[2-cyanoethyl(3-pyridinylmethyl)amino]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-[2-cyanoethyl(3-pyridylmethyl)amino]-2-hydroxy-propyl]-methyl-ammonium Formula: C13H21N4O+ MolecularWeight: 249.33204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN(CCC#N)CC1=CN=CC=C1)O

Isomeric SMILES

C[NH2+]C[C@@H](CN(CCC#N)CC1=CN=CC=C1)O

InChI

InChI=1S/C13H20N4O/c1-15-9-13(18)11-17(7-3-5-14)10-12-4-2-6-16-8-12/h2,4,6,8,13,15,18H,3,7,9-11H2,1H3/p+1/t13-/m0/s1