[4-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)Br)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC=C(C=C2)Br)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2O3/c21-17-6-8-19(9-7-17)26-15-18(24)14-22-10-12-23(13-11-22)20(25)16-4-2-1-3-5-16/h1-9,18,24H,10-15H2/p+1/t18-/m1/s1