1-(1-adamantyl)-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(benzenesulfonyl)piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(benzenesulfonyl)piperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(benzenesulfonyl)piperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-besyl-piperazin-1-ium Formula: C20H29N2O2S+ MolecularWeight: 361.52146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S/c23-25(24,19-4-2-1-3-5-19)22-8-6-21(7-9-22)20-13-16-10-17(14-20)12-18(11-16)15-20/h1-5,16-18H,6-15H2/p+1