dimethyl-[(2S)-2-[[(2S)-5-methylhexan-2-yl]azaniumyl]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[[(2S)-5-methylhexan-2-yl]azaniumyl]-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-[[(1S)-1,4-dimethylpentyl]ammonio]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-2-[[(2S)-5-methylhexan-2-yl]ammonio]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[(2S)-5-methylhexan-2-yl]azaniumyl]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[[(1S)-1,4-dimethylpentyl]ammonio]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C17H32N2+2 MolecularWeight: 264.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2/c1-14(2)11-12-15(3)18-17(13-19(4)5)16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3/p+2/t15-,17+/m0/s1