[2-[1-(2-adamantyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-(2-adamantyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-(2-adamantyl)piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-(2-adamantyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-(2-adamantyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-(2-adamantyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C27H39N2O2+ MolecularWeight: 423.61076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C27H38N2O2/c30-27(29-10-4-1-5-11-29)24-6-2-3-7-25(24)31-23-8-12-28(13-9-23)26-21-15-19-14-20(17-21)18-22(26)16-19/h2-3,6-7,19-23,26H,1,4-5,8-18H2/p+1