4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(1-adamantyl)-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C18H28N2O3 MolecularWeight: 320.42652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H28N2O3/c21-16(1-2-17(22)23)19-3-5-20(6-4-19)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2,(H,22,23)