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

Systemtic Name: 1-[4-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(4-bromo-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(4-bromo-2,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C15H22BrN2O3+ MolecularWeight: 358.25078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O3/c1-11(19)18-6-4-17(5-7-18)10-12-8-15(21-3)13(16)9-14(12)20-2/h8-9H,4-7,10H2,1-3H3/p+1