[(2S)-octan-2-yl]-[(1R)-1-phenylethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-4-5-6-8-11-14(2)17-15(3)16-12-9-7-10-13-16/h7,9-10,12-15,17H,4-6,8,11H2,1-3H3/p+1/t14-,15+/m0/s1