ethyl 4-[4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[(2R)-2-oxanyl]methyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C19H29N2O5S+ MolecularWeight: 397.50896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-2-25-19(22)16-6-8-18(9-7-16)27(23,24)21-12-10-20(11-13-21)15-17-5-3-4-14-26-17/h6-9,17H,2-5,10-15H2,1H3/p+1/t17-/m1/s1