N,N-dimethylcarbamate; 3-(1,4-dimethylpiperazin-1-ium-1-yl)phenol; bromide

Systemtic Name: N,N-dimethylcarbamate; 3-(1,4-dimethylpiperazin-1-ium-1-yl)phenol; bromide Openeye Name: N,N-dimethylcarbamate; 3-(1,4-dimethylpiperazin-1-ium-1-yl)phenol; bromide CAS Name: N,N-dimethylcarbamate; 3-(1,4-dimethyl-1-piperazin-1-iumyl)phenol; bromide IUPAC Name: N,N-dimethylcarbamate; 3-(1,4-dimethylpiperazin-1-ium-1-yl)phenol; bromide Traditional Name: N,N-dimethylcarbamate; 3-(1,4-dimethylpiperazin-1-ium-1-yl)phenol; bromide Formula: C15H25BrN3O3- MolecularWeight: 375.2813

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C)C2=CC(=CC=C2)O.CN(C)C(=O)[O-].[Br-]

Isomeric SMILES

CN1CC[N+](CC1)(C)C2=CC(=CC=C2)O.CN(C)C(=O)[O-].[Br-]

InChI

InChI=1S/C12H18N2O.C3H7NO2.BrH/c1-13-6-8-14(2,9-7-13)11-4-3-5-12(15)10-11;1-4(2)3(5)6;/h3-5,10H,6-9H2,1-2H3;1-2H3,(H,5,6);1H/p-1