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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-(2-thenyl)ammonium Formula: C22H25BrNO2S+ MolecularWeight: 447.4084

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO2S/c1-3-25-21-12-18(13-24-14-19-5-4-10-27-19)11-20(23)22(21)26-15-17-8-6-16(2)7-9-17/h4-12,24H,3,13-15H2,1-2H3/p+1