[(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(2-methylphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(2-methylphenyl)ethyl]azanium Openeye Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(o-tolyl)ethyl]ammonium CAS Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(2-methylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(2-methylphenyl)ethyl]azanium Traditional Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(o-tolyl)ethyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CN2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CC1=CC=CC=C1[C@@H](CN2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C15H25N3/c1-13-6-3-4-7-14(13)15(16)12-18-9-5-8-17(2)10-11-18/h3-4,6-7,15H,5,8-12,16H2,1-2H3/p+2/t15-/m1/s1