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

Systemtic Name: [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [4-(2,4-dichlorobenzyl)oxy-3-ethoxy-benzyl]-(2-thenyl)ammonium Formula: C21H22Cl2NO2S+ MolecularWeight: 423.37588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2NO2S/c1-2-25-21-10-15(12-24-13-18-4-3-9-27-18)5-8-20(21)26-14-16-6-7-17(22)11-19(16)23/h3-11,24H,2,12-14H2,1H3/p+1