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

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: 1-adamantyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: 1-adamantyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C21H32N4O+2 MolecularWeight: 356.50498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30N4O/c26-20(25-7-5-24(6-8-25)19-3-1-2-4-22-19)15-23-21-12-16-9-17(13-21)11-18(10-16)14-21/h1-4,16-18,23H,5-15H2/p+2