[4-[2-(3-bromanylphenoxy)ethoxy]-3-methoxy-phenyl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [4-[2-(3-bromanylphenoxy)ethoxy]-3-methoxy-phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-benzyl]-(2-thenyl)ammonium Formula: C21H23BrNO3S+ MolecularWeight: 449.38122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CS2)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CS2)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrNO3S/c1-24-21-12-16(14-23-15-19-6-3-11-27-19)7-8-20(21)26-10-9-25-18-5-2-4-17(22)13-18/h2-8,11-13,23H,9-10,14-15H2,1H3/p+1