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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H27BrNO3+ MolecularWeight: 421.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC3CCCO3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C[C@H]3CCCO3)OC

InChI

InChI=1S/C21H26BrNO3/c1-15-5-7-16(8-6-15)14-26-21-19(22)10-17(11-20(21)24-2)12-23-13-18-4-3-9-25-18/h5-8,10-11,18,23H,3-4,9,12-14H2,1-2H3/p+1/t18-/m1/s1