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

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-(2-thienylmethyl)ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-(2-thenyl)ammonium Formula: C20H21BrNO2S+ MolecularWeight: 419.35524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]CC2=CC=CS2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]CC2=CC=CS2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO2S/c1-23-19-11-17(21)10-16(12-22-13-18-8-5-9-25-18)20(19)24-14-15-6-3-2-4-7-15/h2-11,22H,12-14H2,1H3/p+1