1-[(1S)-1-(5-bromanyl-2-phenylsulfanyl-phenyl)ethyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(1S)-1-(5-bromanyl-2-phenylsulfanyl-phenyl)ethyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(1S)-1-(5-bromo-2-phenylsulfanyl-phenyl)ethyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(1S)-1-[5-bromo-2-(phenylthio)phenyl]ethyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(1S)-1-(5-bromo-2-phenylsulfanylphenyl)ethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[(1S)-1-[5-bromo-2-(phenylthio)phenyl]ethyl]-4-methyl-piperazin-4-ium Formula: C19H24BrN2S+ MolecularWeight: 392.37626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Br)SC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@@H](C1=C(C=CC(=C1)Br)SC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H23BrN2S/c1-15(22-12-10-21(2)11-13-22)18-14-16(20)8-9-19(18)23-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3/p+1/t15-/m0/s1