4-[3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Formula: C24H33N2O4S+ MolecularWeight: 445.59482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H32N2O4S/c1-29-22-11-9-21(10-12-22)24-8-3-2-4-13-25(24)19-20-6-5-7-23(18-20)31(27,28)26-14-16-30-17-15-26/h5-7,9-12,18,24H,2-4,8,13-17,19H2,1H3/p+1/t24-/m1/s1