[(2R)-2-(4-azanyl-3-cyano-phenyl)-2-oxidanyl-ethyl]-propan-2-yl-azanium

Systemtic Name: [(2R)-2-(4-azanyl-3-cyano-phenyl)-2-oxidanyl-ethyl]-propan-2-yl-azanium Openeye Name: [(2R)-2-(4-amino-3-cyano-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium CAS Name: [(2R)-2-(4-amino-3-cyanophenyl)-2-hydroxyethyl]-propan-2-ylammonium IUPAC Name: [(2R)-2-(4-amino-3-cyanophenyl)-2-hydroxyethyl]-propan-2-ylazanium Traditional Name: [(2R)-2-(4-amino-3-cyano-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/p+1/t12-/m0/s1