2-bromanyl-6-methoxy-4-[(E)-[4-(phenylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenolate

Systemtic Name: 2-bromanyl-6-methoxy-4-[(E)-[4-(phenylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Openeye Name: 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]-2-bromo-6-methoxy-phenolate CAS Name: 2-bromo-6-methoxy-4-[(E)-[4-(phenylmethyl)-1-piperazin-4-iumyl]iminomethyl]phenolate IUPAC Name: 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]-2-bromo-6-methoxyphenolate Traditional Name: 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]-2-bromo-6-methoxy-phenolate Formula: C19H22BrN3O2 MolecularWeight: 404.30088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2CC[NH+](CC2)CC3=CC=CC=C3)Br)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/N2CC[NH+](CC2)CC3=CC=CC=C3)Br)[O-]

InChI

InChI=1S/C19H22BrN3O2/c1-25-18-12-16(11-17(20)19(18)24)13-21-23-9-7-22(8-10-23)14-15-5-3-2-4-6-15/h2-6,11-13,24H,7-10,14H2,1H3/b21-13+