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

Systemtic Name: [3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-5-ethoxy-benzyl]-(2-thenyl)ammonium Formula: C21H22BrClNO2S+ MolecularWeight: 467.82688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrClNO2S/c1-2-25-20-11-16(12-24-13-18-4-3-9-27-18)10-19(22)21(20)26-14-15-5-7-17(23)8-6-15/h3-11,24H,2,12-14H2,1H3/p+1