[(2R)-1-azaniumylheptan-2-yl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-azaniumylheptan-2-yl]-ethyl-(phenylmethyl)azanium Openeye Name: [(1R)-1-(azaniumylmethyl)hexyl]-benzyl-ethyl-ammonium CAS Name: [(2R)-1-ammonioheptan-2-yl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [(2R)-1-azaniumylheptan-2-yl]-benzyl-ethylazanium Traditional Name: [(1R)-1-(ammoniomethyl)hexyl]-benzyl-ethyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-3-5-7-12-16(13-17)18(4-2)14-15-10-8-6-9-11-15/h6,8-11,16H,3-5,7,12-14,17H2,1-2H3/p+2/t16-/m1/s1