(2R)-1-pyrrolidin-1-yl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-pyrrolidin-1-yl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-pyrrolidin-1-yl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1-pyrrolidinyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-pyrrolidin-1-yl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-pyrrolidino-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N3CCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N3CCCC3)C)C

InChI

InChI=1S/C21H33N3O3S/c1-15-14-16(2)18(4)20(17(15)3)28(26,27)24-12-10-22(11-13-24)19(5)21(25)23-8-6-7-9-23/h14,19H,6-13H2,1-5H3/p+1/t19-/m1/s1