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

Systemtic Name: (2-bromanyl-5-methoxy-4-phenethyloxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (2-bromo-5-methoxy-4-phenethyloxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (2-bromo-5-methoxy-4-phenethyloxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (2-bromo-5-methoxy-4-phenethyloxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (2-bromo-5-methoxy-4-phenethyloxy-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=C1Br)OCCC2=CC=CC=C2)OC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C=C1Br)OCCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H26BrNO3/c1-3-17(14-23)22-13-16-11-19(24-2)20(12-18(16)21)25-10-9-15-7-5-4-6-8-15/h4-8,11-12,17,22-23H,3,9-10,13-14H2,1-2H3/p+1/t17-/m1/s1