1-(2-adamantyl)-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-(2-adamantyl)-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-(2-adamantyl)-4-benzyl-piperazin-1-ium CAS Name: 1-(2-adamantyl)-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-(2-adamantyl)-4-benzylpiperazin-1-ium Traditional Name: 1-(2-adamantyl)-4-benzyl-piperazin-1-ium Formula: C21H31N2+ MolecularWeight: 311.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CC5=CC=CC=C5

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+1