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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-ethyl-piperazine-1,4-diium Formula: C14H23BrN2O+2 MolecularWeight: 315.24922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O/c1-3-16-6-8-17(9-7-16)11-12-10-13(15)4-5-14(12)18-2/h4-5,10H,3,6-9,11H2,1-2H3/p+2