dimethyl-[(2S)-2-[[(2S)-pentan-2-yl]azaniumyl]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[[(2S)-pentan-2-yl]azaniumyl]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[(1S)-1-methylbutyl]ammonio]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[(2S)-pentan-2-yl]ammonio]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[(2S)-pentan-2-yl]azaniumyl]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[[(1S)-1-methylbutyl]ammonio]-2-phenyl-ethyl]ammonium Formula: C15H28N2+2 MolecularWeight: 236.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]C(C[NH+](C)C)C1=CC=CC=C1

Isomeric SMILES

CCC[C@H](C)[NH2+][C@H](C[NH+](C)C)C1=CC=CC=C1

InChI

InChI=1S/C15H26N2/c1-5-9-13(2)16-15(12-17(3)4)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,5,9,12H2,1-4H3/p+2/t13-,15+/m0/s1