[(1S)-2-azaniumyl-1-(3-chloranyl-4,5-dimethoxy-phenyl)ethyl]-tert-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-4,5-dimethoxy-phenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-4,5-dimethoxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-4,5-dimethoxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium Formula: C16H29ClN2O2+2 MolecularWeight: 316.86666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27ClN2O2/c1-7-19(16(2,3)4)13(10-18)11-8-12(17)15(21-6)14(9-11)20-5/h8-9,13H,7,10,18H2,1-6H3/p+2/t13-/m1/s1