[(3S,5S)-5-methylheptan-3-yl]-phenethyl-azanium

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-phenethyl-azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-phenethyl-ammonium CAS Name: [(3S,5S)-5-methylheptan-3-yl]-phenethylammonium IUPAC Name: [(3S,5S)-5-methylheptan-3-yl]-phenethylazanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-phenethyl-ammonium Formula: C16H28N+ MolecularWeight: 234.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-4-14(3)13-16(5-2)17-12-11-15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3/p+1/t14-,16-/m0/s1