[(2S)-heptan-2-yl]-phenethyl-azanium

Systemtic Name: [(2S)-heptan-2-yl]-phenethyl-azanium Openeye Name: [(1S)-1-methylhexyl]-phenethyl-ammonium CAS Name: [(2S)-heptan-2-yl]-phenethylammonium IUPAC Name: [(2S)-heptan-2-yl]-phenethylazanium Traditional Name: [(1S)-1-methylhexyl]-phenethyl-ammonium Formula: C15H26N+ MolecularWeight: 220.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCC1=CC=CC=C1

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCC1=CC=CC=C1

InChI

InChI=1S/C15H25N/c1-3-4-6-9-14(2)16-13-12-15-10-7-5-8-11-15/h5,7-8,10-11,14,16H,3-4,6,9,12-13H2,1-2H3/p+1/t14-/m0/s1