1-(2-adamantyl)-4-(pyridin-4-ylmethyl)piperazin-1-ium

Systemtic Name: 1-(2-adamantyl)-4-(pyridin-4-ylmethyl)piperazin-1-ium Openeye Name: 1-(2-adamantyl)-4-(4-pyridylmethyl)piperazin-1-ium CAS Name: 1-(2-adamantyl)-4-(pyridin-4-ylmethyl)piperazin-1-ium IUPAC Name: 1-(2-adamantyl)-4-(pyridin-4-ylmethyl)piperazin-1-ium Traditional Name: 1-(2-adamantyl)-4-(4-pyridylmethyl)piperazin-1-ium Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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+1