[2-[[[(2S)-heptan-2-yl]azaniumyl]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[(2S)-heptan-2-yl]azaniumyl]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: dimethyl-[[2-[[[(1S)-1-methylhexyl]ammonio]methyl]phenyl]methyl]ammonium CAS Name: [2-[[[(2S)-heptan-2-yl]ammonio]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[(2S)-heptan-2-yl]azaniumyl]methyl]phenyl]methyl-dimethylazanium Traditional Name: dimethyl-[2-[[[(1S)-1-methylhexyl]ammonio]methyl]benzyl]ammonium Formula: C17H32N2+2 MolecularWeight: 264.44938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CC1=CC=CC=C1C[NH+](C)C

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CC1=CC=CC=C1C[NH+](C)C

InChI

InChI=1S/C17H30N2/c1-5-6-7-10-15(2)18-13-16-11-8-9-12-17(16)14-19(3)4/h8-9,11-12,15,18H,5-7,10,13-14H2,1-4H3/p+2/t15-/m0/s1