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

Systemtic Name: [(2S)-2-[[(2S)-heptan-2-yl]azaniumyl]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: dimethyl-[(2S)-2-[[(1S)-1-methylhexyl]ammonio]-2-phenyl-ethyl]ammonium CAS Name: [(2S)-2-[[(2S)-heptan-2-yl]ammonio]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[(2S)-heptan-2-yl]azaniumyl]-2-phenylethyl]-dimethylazanium Traditional Name: dimethyl-[(2S)-2-[[(1S)-1-methylhexyl]ammonio]-2-phenyl-ethyl]ammonium Formula: C17H32N2+2 MolecularWeight: 264.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2/c1-5-6-8-11-15(2)18-17(14-19(3)4)16-12-9-7-10-13-16/h7,9-10,12-13,15,17-18H,5-6,8,11,14H2,1-4H3/p+2/t15-,17+/m0/s1