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

Systemtic Name: [(2S)-3-[2-cyanoethyl(phenyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-[N-(2-cyanoethyl)anilino]-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-[N-(2-cyanoethyl)anilino]-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-[N-(2-cyanoethyl)anilino]-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-[N-(2-cyanoethyl)anilino]-2-hydroxy-propyl]ammonium Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O/c13-7-4-8-15(10-12(16)9-14)11-5-2-1-3-6-11/h1-3,5-6,12,16H,4,8-10,14H2/p+1/t12-/m0/s1