[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C21H29BrNO3+ MolecularWeight: 423.36386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)CO)Br)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)CO)Br)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H28BrNO3/c1-5-25-19-11-17(12-23-21(3,4)14-24)10-18(22)20(19)26-13-16-8-6-15(2)7-9-16/h6-11,23-24H,5,12-14H2,1-4H3/p+1