(E)-4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-(1-adamantyl)-1-piperazin-4-iumyl]-4-oxo-2-butenoate IUPAC Name: (E)-4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-[4-(1-adamantyl)piperazin-4-ium-1-yl]-4-keto-but-2-enoate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/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/h1-2,13-15H,3-12H2,(H,22,23)/b2-1+