[4-(1-adamantyl)piperazin-4-ium-1-yl]-[4-(phenylsulfonyl)phenyl]methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-[4-(phenylsulfonyl)phenyl]methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-[4-(benzenesulfonyl)phenyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-[4-(benzenesulfonyl)phenyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-[4-(benzenesulfonyl)phenyl]methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-besylphenyl)methanone Formula: C27H33N2O3S+ MolecularWeight: 465.62752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C27H32N2O3S/c30-26(23-6-8-25(9-7-23)33(31,32)24-4-2-1-3-5-24)28-10-12-29(13-11-28)27-17-20-14-21(18-27)16-22(15-20)19-27/h1-9,20-22H,10-19H2/p+1