[(1S)-2-azaniumyl-1-phenyl-ethyl]-bis(2-methylpropyl)azanium

Systemtic Name: [(1S)-2-azaniumyl-1-phenyl-ethyl]-bis(2-methylpropyl)azanium Openeye Name: [(1S)-2-azaniumyl-1-phenyl-ethyl]-diisobutyl-ammonium CAS Name: [(1S)-2-ammonio-1-phenylethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(1S)-2-azaniumyl-1-phenylethyl]-bis(2-methylpropyl)azanium Traditional Name: [(1S)-2-ammonio-1-phenyl-ethyl]-diisobutyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-13(2)11-18(12-14(3)4)16(10-17)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,17H2,1-4H3/p+2/t16-/m1/s1