[4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-morpholinosulfonylphenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-[4-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-morpholinosulfonylphenyl)methanone Formula: C25H36N3O4S+ MolecularWeight: 474.63604

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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)N6CCOCC6

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C25H35N3O4S/c29-24(22-1-3-23(4-2-22)33(30,31)28-9-11-32-12-10-28)26-5-7-27(8-6-26)25-16-19-13-20(17-25)15-21(14-19)18-25/h1-4,19-21H,5-18H2/p+1