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

Systemtic Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-3-methyl-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-3-methyl-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-(1-azocan-1-iumyl)-3-methyl-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-3-methyl-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-3-methyl-1-phenyl-butyl]ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=CC=C1)[NH3+])[NH+]2CCCCCCC2

Isomeric SMILES

CC(C)[C@H]([C@@H](C1=CC=CC=C1)[NH3+])[NH+]2CCCCCCC2

InChI

InChI=1S/C18H30N2/c1-15(2)18(17(19)16-11-7-6-8-12-16)20-13-9-4-3-5-10-14-20/h6-8,11-12,15,17-18H,3-5,9-10,13-14,19H2,1-2H3/p+2/t17-,18-/m1/s1