dimethyl-[(2S)-2-[[(2S)-4-methylpentan-2-yl]azaniumyl]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[[(2S)-4-methylpentan-2-yl]azaniumyl]-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-[[(1S)-1,3-dimethylbutyl]ammonio]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-2-[[(2S)-4-methylpentan-2-yl]ammonio]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[(2S)-4-methylpentan-2-yl]azaniumyl]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[[(1S)-1,3-dimethylbutyl]ammonio]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-13(2)11-14(3)17-16(12-18(4)5)15-9-7-6-8-10-15/h6-10,13-14,16-17H,11-12H2,1-5H3/p+2/t14-,16+/m0/s1