2-adamantyl-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-adamantyl-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-adamantyl-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-adamantyl-[2-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 2-adamantyl-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: 2-adamantyl-[2-[4-(2-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-ammonium Formula: C23H33ClN3O3S+ MolecularWeight: 467.04442

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Cl)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[NH+](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Cl)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H32ClN3O3S/c1-25(23-18-11-16-10-17(13-18)14-19(23)12-16)15-22(28)26-6-8-27(9-7-26)31(29,30)21-5-3-2-4-20(21)24/h2-5,16-19,23H,6-15H2,1H3/p+1