[(2S)-1-azaniumyl-2,5-dimethyl-hexan-2-yl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-azaniumyl-2,5-dimethyl-hexan-2-yl]-ethyl-(phenylmethyl)azanium Openeye Name: [(1S)-1-(azaniumylmethyl)-1,4-dimethyl-pentyl]-benzyl-ethyl-ammonium CAS Name: [(2S)-1-ammonio-2,5-dimethylhexan-2-yl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [(2S)-1-azaniumyl-2,5-dimethylhexan-2-yl]-benzyl-ethylazanium Traditional Name: [(1S)-1-(ammoniomethyl)-1,4-dimethyl-pentyl]-benzyl-ethyl-ammonium Formula: C17H32N2+2 MolecularWeight: 264.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C(C)(CCC(C)C)C[NH3+]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)[C@@](C)(CCC(C)C)C[NH3+]

InChI

InChI=1S/C17H30N2/c1-5-19(13-16-9-7-6-8-10-16)17(4,14-18)12-11-15(2)3/h6-10,15H,5,11-14,18H2,1-4H3/p+2/t17-/m0/s1