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

Systemtic Name: N-cyclohexyl-N-methyl-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclohexyl-N-methyl-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclohexyl-N-methyl-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-N-methyl-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclohexyl-2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

CN(C1CCCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C19H28N4O2/c1-22(16-8-3-2-4-9-16)18(24)13-17-19(25)21-11-12-23(17)14-15-7-5-6-10-20-15/h5-7,10,16-17H,2-4,8-9,11-14H2,1H3,(H,21,25)/p+1/t17-/m1/s1