ethyl (3S)-1-[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H36N3O4+ MolecularWeight: 406.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H35N3O4/c1-3-29-20(27)18-5-4-6-25(13-18)14(2)19(26)23-21(28)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h14-18H,3-13H2,1-2H3,(H2,23,24,26,28)/p+1/t14-,15?,16?,17?,18-,22?/m0/s1