N-[1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[2-(tert-butylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide CAS Name: N-[1-[2-(tert-butylamino)-2-oxoethyl]-4-piperidin-1-iumyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-[2-(tert-butylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Formula: C22H38N3O2+ MolecularWeight: 376.55602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O2/c1-21(2,3)24-19(26)14-25-6-4-18(5-7-25)23-20(27)22-11-15-8-16(12-22)10-17(9-15)13-22/h15-18H,4-14H2,1-3H3,(H,23,27)(H,24,26)/p+1