[4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,5-dimethylfuran-3-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,5-dimethylfuran-3-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,5-dimethyl-3-furyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(2,5-dimethyl-3-furanyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,5-dimethylfuran-3-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,5-dimethyl-3-furyl)methanone Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30N2O2/c1-14-7-19(15(2)25-14)20(24)22-3-5-23(6-4-22)21-11-16-8-17(12-21)10-18(9-16)13-21/h7,16-18H,3-6,8-13H2,1-2H3/p+1