1-(2-adamantyl)-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(2-adamantyl)-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-(2-adamantyl)-4-benzyl-piperazine-1,4-diium CAS Name: 1-(2-adamantyl)-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-(2-adamantyl)-4-benzylpiperazine-1,4-diium Traditional Name: 1-(2-adamantyl)-4-benzyl-piperazine-1,4-diium Formula: C21H32N2+2 MolecularWeight: 312.49218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2/c1-2-4-16(5-3-1)15-22-6-8-23(9-7-22)21-19-11-17-10-18(13-19)14-20(21)12-17/h1-5,17-21H,6-15H2/p+2