[(2S)-1-azaniumyl-4-phenyl-butan-2-yl]-(2-hydroxyethyl)-methyl-azanium

Systemtic Name: [(2S)-1-azaniumyl-4-phenyl-butan-2-yl]-(2-hydroxyethyl)-methyl-azanium Openeye Name: [(1S)-1-(azaniumylmethyl)-3-phenyl-propyl]-(2-hydroxyethyl)-methyl-ammonium CAS Name: [(2S)-1-ammonio-4-phenylbutan-2-yl]-(2-hydroxyethyl)-methylammonium IUPAC Name: [(2S)-1-azaniumyl-4-phenylbutan-2-yl]-(2-hydroxyethyl)-methylazanium Traditional Name: [(1S)-1-(ammoniomethyl)-3-phenyl-propyl]-(2-hydroxyethyl)-methyl-ammonium Formula: C13H24N2O+2 MolecularWeight: 224.34246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)C(CCC1=CC=CC=C1)C[NH3+]

Isomeric SMILES

C[NH+](CCO)[C@@H](CCC1=CC=CC=C1)C[NH3+]

InChI

InChI=1S/C13H22N2O/c1-15(9-10-16)13(11-14)8-7-12-5-3-2-4-6-12/h2-6,13,16H,7-11,14H2,1H3/p+2/t13-/m0/s1