4-bromanyl-2-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate

Systemtic Name: 4-bromanyl-2-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Openeye Name: 4-bromo-2-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate CAS Name: 4-bromo-2-[(E)-[4-(2-methoxyphenyl)-1-piperazin-4-iumyl]iminomethyl]phenolate IUPAC Name: 4-bromo-2-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Traditional Name: 4-bromo-2-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Formula: C18H20BrN3O2 MolecularWeight: 390.2743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[NH+]2CCN(CC2)N=CC3=C(C=CC(=C3)Br)[O-]

Isomeric SMILES

COC1=CC=CC=C1[NH+]2CCN(CC2)/N=C/C3=C(C=CC(=C3)Br)[O-]

InChI

InChI=1S/C18H20BrN3O2/c1-24-18-5-3-2-4-16(18)21-8-10-22(11-9-21)20-13-14-12-15(19)6-7-17(14)23/h2-7,12-13,23H,8-11H2,1H3/b20-13+