3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-4-methyl-1,3-thiazol-2-one

Systemtic Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-4-methyl-1,3-thiazol-2-one Openeye Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-4-methyl-thiazol-2-one CAS Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-4-methyl-2-thiazolone IUPAC Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-4-methyl-1,3-thiazol-2-one Traditional Name: 3-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-4-methyl-4-thiazolin-2-one Formula: C22H32N3O3S2+ MolecularWeight: 450.63778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=CSC(=O)N1CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H31N3O3S2/c1-18-17-29-22(26)25(18)16-13-23-11-14-24(15-12-23)30(27,28)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-10,17,19H,2-6,11-16H2,1H3/p+1