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

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C14H20BrN2O2+ MolecularWeight: 328.2248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C14H19BrN2O2/c1-11(18)17-7-5-16(6-8-17)10-12-9-13(15)3-4-14(12)19-2/h3-4,9H,5-8,10H2,1-2H3/p+1