[4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methylfuran-3-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methylfuran-3-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methyl-3-furyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(2-methyl-3-furanyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methylfuran-3-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methyl-3-furyl)methanone Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H28N2O2/c1-14-18(2-7-24-14)19(23)21-3-5-22(6-4-21)20-11-15-8-16(12-20)10-17(9-15)13-20/h2,7,15-17H,3-6,8-13H2,1H3/p+1