1-[(1R)-1-(5-bromanyl-2-phenylsulfanyl-phenyl)ethyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(1R)-1-(5-bromanyl-2-phenylsulfanyl-phenyl)ethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(1R)-1-(5-bromo-2-phenylsulfanyl-phenyl)ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(1R)-1-[5-bromo-2-(phenylthio)phenyl]ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(1R)-1-(5-bromo-2-phenylsulfanylphenyl)ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(1R)-1-[5-bromo-2-(phenylthio)phenyl]ethyl]-4-methyl-piperazine-1,4-diium Formula: C19H25BrN2S+2 MolecularWeight: 393.3842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Br)SC2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

C[C@H](C1=C(C=CC(=C1)Br)SC2=CC=CC=C2)[NH+]3CC[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+2/t15-/m1/s1