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

Systemtic Name: [(1S)-2-azaniumyl-1-(4-phenoxyphenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-phenoxyphenyl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-phenoxyphenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-phenoxyphenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(4-phenoxyphenyl)ethyl]-tert-butyl-ethyl-ammonium Formula: C20H30N2O+2 MolecularWeight: 314.465

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C[NH3+])C1=CC=C(C=C1)OC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@H](C[NH3+])C1=CC=C(C=C1)OC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C20H28N2O/c1-5-22(20(2,3)4)19(15-21)16-11-13-18(14-12-16)23-17-9-7-6-8-10-17/h6-14,19H,5,15,21H2,1-4H3/p+2/t19-/m1/s1