N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(benzofurazan-5-ylmethyl)-2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C20H23N6O3+ MolecularWeight: 395.43502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=NON=C2C=C1)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC=N4

Isomeric SMILES

CN(CC1=CC2=NON=C2C=C1)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CC=N4

InChI

InChI=1S/C20H22N6O3/c1-25(12-14-5-6-16-17(10-14)24-29-23-16)19(27)11-18-20(28)22-8-9-26(18)13-15-4-2-3-7-21-15/h2-7,10,18H,8-9,11-13H2,1H3,(H,22,28)/p+1/t18-/m1/s1