[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C20H27BrNO3+ MolecularWeight: 409.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OC

InChI

InChI=1S/C20H26BrNO3/c1-4-17(12-23)22-11-16-9-18(21)20(19(10-16)24-3)25-13-15-7-5-14(2)6-8-15/h5-10,17,22-23H,4,11-13H2,1-3H3/p+1/t17-/m1/s1