[(3R,5S)-3-(azaniumylmethyl)-5-methyl-heptan-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3R,5S)-3-(azaniumylmethyl)-5-methyl-heptan-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(1R,3S)-1-(azaniumylmethyl)-1-ethyl-3-methyl-pentyl]-benzyl-methyl-ammonium CAS Name: [(3R,5S)-3-(ammoniomethyl)-5-methylheptan-3-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(3R,5S)-3-(azaniumylmethyl)-5-methylheptan-3-yl]-benzyl-methylazanium Traditional Name: [(1R,3S)-1-(ammoniomethyl)-1-ethyl-3-methyl-pentyl]-benzyl-methyl-ammonium Formula: C17H32N2+2 MolecularWeight: 264.44938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)(C[NH3+])[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)C[C@](CC)(C[NH3+])[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C17H30N2/c1-5-15(3)12-17(6-2,14-18)19(4)13-16-10-8-7-9-11-16/h7-11,15H,5-6,12-14,18H2,1-4H3/p+2/t15-,17+/m0/s1