1-adamantyl-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]ammonium Formula: C22H40N4O2+2 MolecularWeight: 392.5786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H38N4O2/c1-21(2,3)24-19(27)15-25-4-6-26(7-5-25)20(28)14-23-22-11-16-8-17(12-22)10-18(9-16)13-22/h16-18,23H,4-15H2,1-3H3,(H,24,27)/p+2