[(1S)-2-azaniumyl-1-(4-propan-2-ylphenyl)ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-propan-2-ylphenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-isopropylphenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-propan-2-ylphenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-propan-2-ylphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-p-cumenyl-ethyl]-dibutyl-ammonium Formula: C19H36N2+2 MolecularWeight: 292.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)C(C[NH3+])C1=CC=C(C=C1)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H34N2/c1-5-7-13-21(14-8-6-2)19(15-20)18-11-9-17(10-12-18)16(3)4/h9-12,16,19H,5-8,13-15,20H2,1-4H3/p+2/t19-/m1/s1