(2R)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)-1-pyrrolidino-propan-1-one Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H31N3O3S/c1-16(2)18-6-8-19(9-7-18)27(25,26)23-14-12-21(13-15-23)17(3)20(24)22-10-4-5-11-22/h6-9,16-17H,4-5,10-15H2,1-3H3/p+1/t17-/m1/s1