[(2S)-2-(azaniumylmethyl)-3-(2-methylphenyl)propyl]-diethyl-azanium

Systemtic Name: [(2S)-2-(azaniumylmethyl)-3-(2-methylphenyl)propyl]-diethyl-azanium Openeye Name: [(2S)-2-(azaniumylmethyl)-3-(o-tolyl)propyl]-diethyl-ammonium CAS Name: [(2S)-2-(ammoniomethyl)-3-(2-methylphenyl)propyl]-diethylammonium IUPAC Name: [(2S)-2-(azaniumylmethyl)-3-(2-methylphenyl)propyl]-diethylazanium Traditional Name: [(2S)-2-(ammoniomethyl)-3-(o-tolyl)propyl]-diethyl-ammonium Formula: C15H28N2+2 MolecularWeight: 236.39622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CC)C[C@@H](CC1=CC=CC=C1C)C[NH3+]

InChI

InChI=1S/C15H26N2/c1-4-17(5-2)12-14(11-16)10-15-9-7-6-8-13(15)3/h6-9,14H,4-5,10-12,16H2,1-3H3/p+2/t14-/m0/s1