2-adamantyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: 2-adamantyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-(2-adamantyl)ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-(2-adamantyl)ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-(2-adamantyl)azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-(2-adamantyl)ammonium Formula: C22H34N4O+2 MolecularWeight: 370.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H32N4O/c1-15(27)25-5-7-26(8-6-25)22-18(3-2-4-23-22)14-24-21-19-10-16-9-17(12-19)13-20(21)11-16/h2-4,16-17,19-21,24H,5-14H2,1H3/p+2