[(1S)-2-azaniumyl-1-(3,4-dimethoxyphenyl)ethyl]-tert-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3,4-dimethoxyphenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3,4-dimethoxyphenyl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3,4-dimethoxyphenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3,4-dimethoxyphenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(3,4-dimethoxyphenyl)ethyl]-tert-butyl-ethyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-7-18(16(2,3)4)13(11-17)12-8-9-14(19-5)15(10-12)20-6/h8-10,13H,7,11,17H2,1-6H3/p+2/t13-/m1/s1