[(1S)-2-azaniumyl-1-(4-tert-butylphenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-tert-butylphenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-tert-butylphenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-tert-butylphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-tert-butylphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(4-tert-butylphenyl)ethyl]-butyl-methyl-ammonium Formula: C17H32N2+2 MolecularWeight: 264.44938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2/c1-6-7-12-19(5)16(13-18)14-8-10-15(11-9-14)17(2,3)4/h8-11,16H,6-7,12-13,18H2,1-5H3/p+2/t16-/m1/s1