N-cyclooctyl-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-cyclooctyl-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclooctyl-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclooctyl-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclooctyl-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclooctyl-2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C20H30N4O2/c25-19(23-16-8-4-2-1-3-5-9-16)14-18-20(26)22-12-13-24(18)15-17-10-6-7-11-21-17/h6-7,10-11,16,18H,1-5,8-9,12-15H2,(H,22,26)(H,23,25)/p+1/t18-/m1/s1