1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one Formula: C16H24BrN2O+ MolecularWeight: 340.27856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O/c1-13(2)11-16(20)19-9-7-18(8-10-19)12-14-3-5-15(17)6-4-14/h3-6,13H,7-12H2,1-2H3/p+1