[(2S)-octan-2-yl]-(3-phenylpropyl)azanium

Systemtic Name: [(2S)-octan-2-yl]-(3-phenylpropyl)azanium Openeye Name: [(1S)-1-methylheptyl]-(3-phenylpropyl)ammonium CAS Name: [(2S)-octan-2-yl]-(3-phenylpropyl)ammonium IUPAC Name: [(2S)-octan-2-yl]-(3-phenylpropyl)azanium Traditional Name: [(1S)-1-methylheptyl]-(3-phenylpropyl)ammonium Formula: C17H30N+ MolecularWeight: 248.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCCC1=CC=CC=C1

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CCCC1=CC=CC=C1

InChI

InChI=1S/C17H29N/c1-3-4-5-7-11-16(2)18-15-10-14-17-12-8-6-9-13-17/h6,8-9,12-13,16,18H,3-5,7,10-11,14-15H2,1-2H3/p+1/t16-/m0/s1