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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-phenyl-piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-phenyl-piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-phenylpiperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-phenylpiperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-phenyl-piperazine-1,4-diium Formula: C18H23BrN2O+2 MolecularWeight: 363.29202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H21BrN2O/c1-22-18-8-7-16(19)13-15(18)14-20-9-11-21(12-10-20)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3/p+2