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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C21H29BrNO3+ MolecularWeight: 423.36386

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO3/c1-4-18(13-24)23-12-17-10-19(22)21(20(11-17)25-5-2)26-14-16-8-6-15(3)7-9-16/h6-11,18,23-24H,4-5,12-14H2,1-3H3/p+1/t18-/m1/s1