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

Systemtic Name: (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidino-propan-1-one Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3S/c1-15-16(2)18(4)21(19(5)17(15)3)29(27,28)25-13-11-23(12-14-25)20(6)22(26)24-9-7-8-10-24/h20H,7-14H2,1-6H3/p+1/t20-/m1/s1