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

Systemtic Name: [(2S)-3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-[2-cyanoethyl(3-pyridylmethyl)amino]-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-[2-cyanoethyl(3-pyridinylmethyl)amino]-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-[2-cyanoethyl(3-pyridylmethyl)amino]-2-hydroxy-propyl]ammonium Formula: C12H19N4O+ MolecularWeight: 235.30546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O/c13-4-2-6-16(10-12(17)7-14)9-11-3-1-5-15-8-11/h1,3,5,8,12,17H,2,6-7,9-10,14H2/p+1/t12-/m0/s1