ethyl 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H37N2O3+ MolecularWeight: 377.54078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H36N2O3/c1-3-27-21(26)19-4-6-24(7-5-19)14-20(25)23-15(2)22-11-16-8-17(12-22)10-18(9-16)13-22/h15-19H,3-14H2,1-2H3,(H,23,25)/p+1/t15-,16?,17?,18?,22?/m1/s1