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

Systemtic Name: [(2S)-octan-2-yl]-phenethyl-azanium Openeye Name: [(1S)-1-methylheptyl]-phenethyl-ammonium CAS Name: [(2S)-octan-2-yl]-phenethylammonium IUPAC Name: [(2S)-octan-2-yl]-phenethylazanium Traditional Name: [(1S)-1-methylheptyl]-phenethyl-ammonium Formula: C16H28N+ MolecularWeight: 234.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-3-4-5-7-10-15(2)17-14-13-16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14H2,1-2H3/p+1/t15-/m0/s1