(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-(2-thienylmethyl)ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(2-thenyl)ammonium Formula: C21H23BrNO2S+ MolecularWeight: 433.38182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22BrNO2S/c1-2-24-20-12-17(13-23-14-18-9-6-10-26-18)11-19(22)21(20)25-15-16-7-4-3-5-8-16/h3-12,23H,2,13-15H2,1H3/p+1