ethyl 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]propanoate Openeye Name: ethyl 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]propanoate CAS Name: 3-[4-(2-adamantyl)-1-piperazin-4-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]propanoate Traditional Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]propionic acid ethyl ester Formula: C19H33N2O2+ MolecularWeight: 321.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC[NH+](CC1)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCOC(=O)CCN1CC[NH+](CC1)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C19H32N2O2/c1-2-23-18(22)3-4-20-5-7-21(8-6-20)19-16-10-14-9-15(12-16)13-17(19)11-14/h14-17,19H,2-13H2,1H3/p+1