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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C19H25BrNO3+ MolecularWeight: 395.3107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrNO3/c1-3-16(12-22)21-11-15-9-17(20)19(18(10-15)23-2)24-13-14-7-5-4-6-8-14/h4-10,16,21-22H,3,11-13H2,1-2H3/p+1/t16-/m1/s1