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

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(4-methylphenoxy)phenyl]ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(4-methylphenoxy)phenyl]ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(4-methylphenoxy)phenyl]ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(4-methylphenoxy)phenyl]ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(4-methylphenoxy)phenyl]ethyl]-tert-butyl-ethyl-ammonium Formula: C21H32N2O+2 MolecularWeight: 328.49158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O/c1-6-23(21(3,4)5)20(15-22)17-9-13-19(14-10-17)24-18-11-7-16(2)8-12-18/h7-14,20H,6,15,22H2,1-5H3/p+2/t20-/m1/s1