(2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidino-propan-1-one Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H35N3O3S/c1-18(21(26)24-12-6-5-7-13-24)23-14-16-25(17-15-23)29(27,28)20-10-8-19(9-11-20)22(2,3)4/h8-11,18H,5-7,12-17H2,1-4H3/p+1/t18-/m1/s1