dimethyl-[(2R)-2-[[(2S,3S)-3-methylpentan-2-yl]azaniumyl]-2-phenyl-ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-6-13(2)14(3)17-16(12-18(4)5)15-10-8-7-9-11-15/h7-11,13-14,16-17H,6,12H2,1-5H3/p+2/t13-,14-,16-/m0/s1