(2R)-2-(3-bromanylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one

Systemtic Name: (2R)-2-(3-bromanylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Openeye Name: (2R)-2-(3-bromophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one CAS Name: (2R)-2-(3-bromophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-propanone IUPAC Name: (2R)-2-(3-bromophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Traditional Name: (2R)-2-(3-bromophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Formula: C15H22BrN2O2+ MolecularWeight: 342.25138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC[NH+](CC1)C)OC2=CC(=CC=C2)Br

Isomeric SMILES

C[C@H](C(=O)N1CCC[NH+](CC1)C)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H21BrN2O2/c1-12(20-14-6-3-5-13(16)11-14)15(19)18-8-4-7-17(2)9-10-18/h3,5-6,11-12H,4,7-10H2,1-2H3/p+1/t12-/m1/s1