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

Systemtic Name: (3-bromanyl-4-phenylmethoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (4-benzyloxy-3-bromo-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-bromo-4-phenylmethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-bromo-4-phenylmethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (4-benzoxy-3-bromo-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C18H23BrNO2+ MolecularWeight: 365.28472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO2/c1-2-16(12-21)20-11-15-8-9-18(17(19)10-15)22-13-14-6-4-3-5-7-14/h3-10,16,20-21H,2,11-13H2,1H3/p+1/t16-/m1/s1