1-[4-[4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[(2R)-2-oxanyl]methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C18H27N2O4S+ MolecularWeight: 367.48298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3CCCCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H]3CCCCO3

InChI

InChI=1S/C18H26N2O4S/c1-15(21)16-5-7-18(8-6-16)25(22,23)20-11-9-19(10-12-20)14-17-4-2-3-13-24-17/h5-8,17H,2-4,9-14H2,1H3/p+1/t17-/m1/s1