N-cyclooctyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclooctyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclooctyl-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclooctyl-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclooctyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclooctyl-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H32N4O/c25-20(22-18-8-4-2-1-3-5-9-18)17-24-14-12-23(13-15-24)16-19-10-6-7-11-21-19/h6-7,10-11,18H,1-5,8-9,12-17H2,(H,22,25)/p+1