1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxaspiro[4.5]dec-1-en-3-one

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxaspiro[4.5]dec-1-en-3-one Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxaspiro[4.5]dec-1-en-3-one CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-4-oxaspiro[4.5]dec-1-en-3-one IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxaspiro[4.5]dec-1-en-3-one Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxaspiro[4.5]dec-1-en-3-one Formula: C23H35N2O2+ MolecularWeight: 371.5362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=CC(=O)O2)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC2(CC1)C(=CC(=O)O2)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H34N2O2/c26-21-13-20(23(27-21)4-2-1-3-5-23)24-6-8-25(9-7-24)22-14-17-10-18(15-22)12-19(11-17)16-22/h13,17-19H,1-12,14-16H2/p+1