1-[4-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(4-bromo-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-(4-bromo-2,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C17H26BrN2O3+ MolecularWeight: 386.30394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2OC)Br)OC

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2OC)Br)OC

InChI

InChI=1S/C17H25BrN2O3/c1-12(2)17(21)20-7-5-19(6-8-20)11-13-9-16(23-4)14(18)10-15(13)22-3/h9-10,12H,5-8,11H2,1-4H3/p+1