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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(2S)-butan-2-yl]piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(1S)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2S)-butan-2-yl]piperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2S)-butan-2-yl]piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium Formula: C16H27BrN2O+2 MolecularWeight: 343.30238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25BrN2O/c1-4-13(2)19-9-7-18(8-10-19)12-14-11-15(17)5-6-16(14)20-3/h5-6,11,13H,4,7-10,12H2,1-3H3/p+2/t13-/m0/s1