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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-(2-thienylmethyl)ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-(2-thenyl)ammonium Formula: C21H23BrNO2S+ MolecularWeight: 433.38182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC3=CC=CS3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC3=CC=CS3)OC

InChI

InChI=1S/C21H22BrNO2S/c1-15-5-7-16(8-6-15)14-25-21-19(22)10-17(11-20(21)24-2)12-23-13-18-4-3-9-26-18/h3-11,23H,12-14H2,1-2H3/p+1