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

Systemtic Name: [(2S)-heptan-2-yl]-(3-phenylpropyl)azanium Openeye Name: [(1S)-1-methylhexyl]-(3-phenylpropyl)ammonium CAS Name: [(2S)-heptan-2-yl]-(3-phenylpropyl)ammonium IUPAC Name: [(2S)-heptan-2-yl]-(3-phenylpropyl)azanium Traditional Name: [(1S)-1-methylhexyl]-(3-phenylpropyl)ammonium Formula: C16H28N+ MolecularWeight: 234.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-3-4-6-10-15(2)17-14-9-13-16-11-7-5-8-12-16/h5,7-8,11-12,15,17H,3-4,6,9-10,13-14H2,1-2H3/p+1/t15-/m0/s1