1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-isopropyl-piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-isopropyl-piperazine-1,4-diium Formula: C15H25BrN2O+2 MolecularWeight: 329.2758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C15H23BrN2O/c1-12(2)18-8-6-17(7-9-18)11-13-10-14(16)4-5-15(13)19-3/h4-5,10,12H,6-9,11H2,1-3H3/p+2