[(2R)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [(2R)-3-(3-bromophenoxy)-2-hydroxy-propyl]-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [(2R)-3-(3-bromophenoxy)-2-hydroxy-propyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C18H23BrNO3+ MolecularWeight: 381.28412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH2+]CC(COC2=CC(=CC=C2)Br)O

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH2+]C[C@H](COC2=CC(=CC=C2)Br)O

InChI

InChI=1S/C18H22BrNO3/c1-22-17-7-5-14(6-8-17)9-10-20-12-16(21)13-23-18-4-2-3-15(19)11-18/h2-8,11,16,20-21H,9-10,12-13H2,1H3/p+1/t16-/m1/s1