[(2S)-octan-2-yl]-[(2R)-2-phenylpropyl]azanium

Systemtic Name: [(2S)-octan-2-yl]-[(2R)-2-phenylpropyl]azanium Openeye Name: [(1S)-1-methylheptyl]-[(2R)-2-phenylpropyl]ammonium CAS Name: [(2S)-octan-2-yl]-[(2R)-2-phenylpropyl]ammonium IUPAC Name: [(2S)-octan-2-yl]-[(2R)-2-phenylpropyl]azanium Traditional Name: [(1S)-1-methylheptyl]-[(2R)-2-phenylpropyl]ammonium Formula: C17H30N+ MolecularWeight: 248.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N/c1-4-5-6-8-11-16(3)18-14-15(2)17-12-9-7-10-13-17/h7,9-10,12-13,15-16,18H,4-6,8,11,14H2,1-3H3/p+1/t15-,16-/m0/s1