[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]-(2-thenyl)ammonium Formula: C21H21BrCl2NO2S+ MolecularWeight: 502.27194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrCl2NO2S/c1-2-26-20-9-14(11-25-12-17-4-3-7-28-17)8-18(22)21(20)27-13-15-5-6-16(23)10-19(15)24/h3-10,25H,2,11-13H2,1H3/p+1