[(1R,2R)-2-(azepan-1-ium-1-yl)-3-methyl-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2R)-2-(azepan-1-ium-1-yl)-3-methyl-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-(azepan-1-ium-1-yl)-3-methyl-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-(1-azepan-1-iumyl)-3-methyl-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-(azepan-1-ium-1-yl)-3-methyl-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-(azepan-1-ium-1-yl)-3-methyl-1-phenyl-butyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-14(2)17(19-12-8-3-4-9-13-19)16(18)15-10-6-5-7-11-15/h5-7,10-11,14,16-17H,3-4,8-9,12-13,18H2,1-2H3/p+2/t16-,17-/m1/s1