1-adamantyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: 1-adamantyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: 1-adamantyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C20H30N5O+ MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H29N5O/c26-18(24-4-6-25(7-5-24)19-21-2-1-3-22-19)14-23-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-3,15-17,23H,4-14H2/p+1