[(2S)-1-(4-azaniumylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium dichloride

Systemtic Name: [(2S)-1-(4-azaniumylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium dichloride Openeye Name: [(1S)-2-(4-azaniumylbutylamino)-1-benzyl-2-oxo-ethyl]ammonium dichloride CAS Name: [(2S)-1-(4-ammoniobutylamino)-1-oxo-3-phenylpropan-2-yl]ammonium dichloride IUPAC Name: [(2S)-1-(4-azaniumylbutylamino)-1-oxo-3-phenylpropan-2-yl]azanium dichloride Traditional Name: [(1S)-2-(4-ammoniobutylamino)-1-benzyl-2-keto-ethyl]ammonium dichloride Formula: C13H23Cl2N3O MolecularWeight: 308.24722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCC[NH3+])[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCCC[NH3+])[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C13H21N3O.2ClH/c14-8-4-5-9-16-13(17)12(15)10-11-6-2-1-3-7-11;;/h1-3,6-7,12H,4-5,8-10,14-15H2,(H,16,17);2*1H/t12-;;/m0../s1