[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C22H29BrNO3+ MolecularWeight: 435.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2CCCO2)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C[C@H]2CCCO2)Br)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C22H28BrNO3/c1-3-25-21-12-18(13-24-14-19-5-4-10-26-19)11-20(23)22(21)27-15-17-8-6-16(2)7-9-17/h6-9,11-12,19,24H,3-5,10,13-15H2,1-2H3/p+1/t19-/m1/s1