1-(2-adamantyl)-4-(pyridin-4-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(2-adamantyl)-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(2-adamantyl)-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-(2-adamantyl)-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-(2-adamantyl)-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2-adamantyl)-4-(4-pyridylmethyl)piperazine-1,4-diium Formula: C20H31N3+2 MolecularWeight: 313.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=NC=C2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=NC=C2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C20H29N3/c1-3-21-4-2-15(1)14-22-5-7-23(8-6-22)20-18-10-16-9-17(12-18)13-19(20)11-16/h1-4,16-20H,5-14H2/p+2