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

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-(3-phenylpropyl)azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(3-phenylpropyl)ammonium CAS Name: [(3S,5S)-5-methylheptan-3-yl]-(3-phenylpropyl)ammonium IUPAC Name: [(3S,5S)-5-methylheptan-3-yl]-(3-phenylpropyl)azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(3-phenylpropyl)ammonium Formula: C17H30N+ MolecularWeight: 248.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N/c1-4-15(3)14-17(5-2)18-13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,4-5,9,12-14H2,1-3H3/p+1/t15-,17-/m0/s1