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

Systemtic Name: [(2S)-pentan-2-yl]-phenethyl-azanium Openeye Name: [(1S)-1-methylbutyl]-phenethyl-ammonium CAS Name: [(2S)-pentan-2-yl]-phenethylammonium IUPAC Name: [(2S)-pentan-2-yl]-phenethylazanium Traditional Name: [(1S)-1-methylbutyl]-phenethyl-ammonium Formula: C13H22N+ MolecularWeight: 192.32048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N/c1-3-7-12(2)14-11-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3/p+1/t12-/m0/s1