(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxy-3-morpholinosulfonyl-phenyl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxy-3-morpholinosulfonyl-phenyl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C21H32N3O6S+ MolecularWeight: 454.56028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3CCCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C[C@H]3CCCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H31N3O6S/c1-28-19-5-4-17(15-20(19)31(26,27)24-10-13-29-14-11-24)21(25)23-8-6-22(7-9-23)16-18-3-2-12-30-18/h4-5,15,18H,2-3,6-14,16H2,1H3/p+1/t18-/m1/s1