4-bromanyl-2-methyl-6-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate

Systemtic Name: 4-bromanyl-2-methyl-6-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 4-bromo-2-methyl-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate CAS Name: 4-bromo-2-methyl-6-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]phenyl]iminomethyl]phenolate IUPAC Name: 4-bromo-2-methyl-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Traditional Name: 4-bromo-2-methyl-6-[[4-[4-(2-thenoyl)piperazin-1-ium-1-yl]phenyl]iminomethyl]phenolate Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C=NC2=CC=C(C=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C23H22BrN3O2S/c1-16-13-18(24)14-17(22(16)28)15-25-19-4-6-20(7-5-19)26-8-10-27(11-9-26)23(29)21-3-2-12-30-21/h2-7,12-15,28H,8-11H2,1H3