1-(2-adamantyl)-4-[(2-methylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(2-adamantyl)-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(2-adamantyl)-4-(o-tolylmethyl)piperazine-1,4-diium CAS Name: 1-(2-adamantyl)-4-[(2-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(2-adamantyl)-4-[(2-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-adamantyl)-4-(2-methylbenzyl)piperazine-1,4-diium Formula: C22H34N2+2 MolecularWeight: 326.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H32N2/c1-16-4-2-3-5-19(16)15-23-6-8-24(9-7-23)22-20-11-17-10-18(13-20)14-21(22)12-17/h2-5,17-18,20-22H,6-15H2,1H3/p+2