1-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C23H33N2O4S+ MolecularWeight: 433.58412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O4S/c1-29-20-2-4-21(5-3-20)30(27,28)25-8-6-24(7-9-25)16-22(26)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,17-19H,6-16H2,1H3/p+1