1-methyl-4-[4-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-1-piperazin-4-iumyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H29N4O5S+ MolecularWeight: 437.53306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)O

InChI

InChI=1S/C20H28N4O5S/c1-15-3-5-17(6-4-15)29-14-16(25)12-23-7-9-24(10-8-23)30(27,28)18-11-19(20(21)26)22(2)13-18/h3-6,11,13,16,25H,7-10,12,14H2,1-2H3,(H2,21,26)/p+1/t16-/m1/s1