[(1R,2R)-2-(azepan-1-ium-1-yl)-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2R)-2-(azepan-1-ium-1-yl)-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-(azepan-1-ium-1-yl)-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-(1-azepan-1-iumyl)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-(azepan-1-ium-1-yl)-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-(azepan-1-ium-1-yl)-1-phenyl-butyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CC[C@H]([C@@H](C1=CC=CC=C1)[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C16H26N2/c1-2-15(18-12-8-3-4-9-13-18)16(17)14-10-6-5-7-11-14/h5-7,10-11,15-16H,2-4,8-9,12-13,17H2,1H3/p+2/t15-,16-/m1/s1