1-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one Formula: C17H26BrN2O2+ MolecularWeight: 370.30454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O2/c1-13(2)10-17(21)20-8-6-19(7-9-20)12-14-4-5-16(22-3)15(18)11-14/h4-5,11,13H,6-10,12H2,1-3H3/p+1