[4-[(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)methyl]phenyl]methylazanium

Systemtic Name: [4-[(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)methyl]phenyl]methylazanium Openeye Name: [4-[(2-bromo-6-tert-butyl-4-ethyl-phenoxy)methyl]phenyl]methylammonium CAS Name: [4-[(2-bromo-6-tert-butyl-4-ethylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [4-[(2-bromo-6-tert-butyl-4-ethylphenoxy)methyl]phenyl]methylazanium Traditional Name: [4-[(2-bromo-6-tert-butyl-4-ethyl-phenoxy)methyl]benzyl]ammonium Formula: C20H27BrNO+ MolecularWeight: 377.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C[NH3+])C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C[NH3+])C(C)(C)C

InChI

InChI=1S/C20H26BrNO/c1-5-14-10-17(20(2,3)4)19(18(21)11-14)23-13-16-8-6-15(12-22)7-9-16/h6-11H,5,12-13,22H2,1-4H3/p+1