(2R)-2-(4-chlorophenyl)-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2R)-2-(4-chlorophenyl)-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-2-(4-chlorophenyl)-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-2-(4-chlorophenyl)-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H28ClN5O3S+2 MolecularWeight: 465.99672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)C(C4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)[C@H](C4=CC=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C21H26ClN5O3S/c22-17-5-3-16(4-6-17)20(21(23)28)26-13-11-25(12-14-26)19-8-7-18(15-24-19)31(29,30)27-9-1-2-10-27/h3-8,15,20H,1-2,9-14H2,(H2,23,28)/p+2/t20-/m1/s1