4-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(4-cyclohexylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H31N3O3S/c1-17-22(18(2)28-23-17)16-24-12-14-25(15-13-24)29(26,27)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-11,19H,3-7,12-16H2,1-2H3/p+1