[(2S)-1-azaniumyl-4-phenyl-butan-2-yl]-butyl-ethyl-azanium

Systemtic Name: [(2S)-1-azaniumyl-4-phenyl-butan-2-yl]-butyl-ethyl-azanium Openeye Name: [(1S)-1-(azaniumylmethyl)-3-phenyl-propyl]-butyl-ethyl-ammonium CAS Name: [(2S)-1-ammonio-4-phenylbutan-2-yl]-butyl-ethylammonium IUPAC Name: [(2S)-1-azaniumyl-4-phenylbutan-2-yl]-butyl-ethylazanium Traditional Name: [(1S)-1-(ammoniomethyl)-3-phenyl-propyl]-butyl-ethyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-3-5-13-18(4-2)16(14-17)12-11-15-9-7-6-8-10-15/h6-10,16H,3-5,11-14,17H2,1-2H3/p+2/t16-/m0/s1