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

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C19H25BrNO2+ MolecularWeight: 379.3113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrNO2/c1-3-18(12-22)21-11-16-10-17(20)8-9-19(16)23-13-15-6-4-14(2)5-7-15/h4-10,18,21-22H,3,11-13H2,1-2H3/p+1/t18-/m1/s1