5-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-(1-adamantyl)-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-oxopentanoate Traditional Name: 5-[4-(1-adamantyl)piperazin-4-ium-1-yl]-5-keto-valerate Formula: C19H30N2O3 MolecularWeight: 334.4531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3/c22-17(2-1-3-18(23)24)20-4-6-21(7-5-20)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,1-13H2,(H,23,24)