1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium Formula: C17H26BrN2O3S+ MolecularWeight: 418.36894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3CCCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H]3CCCCO3)Br

InChI

InChI=1S/C17H25BrN2O3S/c1-14-12-16(5-6-17(14)18)24(21,22)20-9-7-19(8-10-20)13-15-4-2-3-11-23-15/h5-6,12,15H,2-4,7-11,13H2,1H3/p+1/t15-/m1/s1