N-(1-adamantylmethyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-adamantylmethyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=N5

InChI

InChI=1S/C22H32N4O/c27-21(15-25-5-7-26(8-6-25)20-3-1-2-4-23-20)24-16-22-12-17-9-18(13-22)11-19(10-17)14-22/h1-4,17-19H,5-16H2,(H,24,27)/p+1