1-(5-bromanylthiophen-2-yl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium Formula: C14H22BrN2O3S2+ MolecularWeight: 410.37008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CCO[C@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C14H21BrN2O3S2/c15-13-4-5-14(21-13)22(18,19)17-8-6-16(7-9-17)11-12-3-1-2-10-20-12/h4-5,12H,1-3,6-11H2/p+1/t12-/m1/s1