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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-4-hydroxy-5-methoxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-4-hydroxy-5-methoxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium Formula: C15H27ClN2O2+2 MolecularWeight: 302.84008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25ClN2O2/c1-6-18(15(2,3)4)12(9-17)10-7-11(16)14(19)13(8-10)20-5/h7-8,12,19H,6,9,17H2,1-5H3/p+2/t12-/m1/s1