2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C19H23BrN3OS+ MolecularWeight: 421.37442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C19H22BrN3OS/c1-14-12-18(15(2)11-17(14)20)25-13-19(24)23-9-7-22(8-10-23)16-3-5-21-6-4-16/h3-6,11-12H,7-10,13H2,1-2H3/p+1