(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-(1,1,3,3-tetramethylbutyl)ammonium Formula: C18H31BrNO2+ MolecularWeight: 373.34824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C[NH2+]C(C)(C)CC(C)(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C[NH2+]C(C)(C)CC(C)(C)C)OC

InChI

InChI=1S/C18H30BrNO2/c1-8-22-16-14(19)9-13(10-15(16)21-7)11-20-18(5,6)12-17(2,3)4/h9-10,20H,8,11-12H2,1-7H3/p+1