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

Systemtic Name: ethyl 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H36N3O3+ MolecularWeight: 378.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H35N3O3/c1-3-27-20(26)24-6-4-23(5-7-24)14-19(25)22-15(2)21-11-16-8-17(12-21)10-18(9-16)13-21/h15-18H,3-14H2,1-2H3,(H,22,25)/p+1/t15-,16?,17?,18?,21?/m1/s1