[(3S,5S)-5-methylheptan-3-yl]-[(1S)-1-phenylethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-5-13(3)12-16(6-2)17-14(4)15-10-8-7-9-11-15/h7-11,13-14,16-17H,5-6,12H2,1-4H3/p+1/t13-,14-,16-/m0/s1