4-[4-(1-adamantyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(1-adamantyl)-1-piperazin-4-iumyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H29N3O3S/c1-13-18(14(2)25-20-13)26(23,24)22-5-3-21(4-6-22)19-10-15-7-16(11-19)9-17(8-15)12-19/h15-17H,3-12H2,1-2H3/p+1