(4R)-N-(2-ethylphenyl)-6-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-ium-1-ylidene)-1,3-diazinane-4-carboxamide

Systemtic Name: (4R)-N-(2-ethylphenyl)-6-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-ium-1-ylidene)-1,3-diazinane-4-carboxamide Openeye Name: (4R)-N-(2-ethylphenyl)-6-oxo-2-[4-(2-pyridyl)piperazin-1-ium-1-ylidene]hexahydropyrimidine-4-carboxamide CAS Name: (4R)-N-(2-ethylphenyl)-6-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumylidene]-1,3-diazinane-4-carboxamide IUPAC Name: (4R)-N-(2-ethylphenyl)-6-oxo-2-(4-pyridin-2-ylpiperazin-1-ium-1-ylidene)-1,3-diazinane-4-carboxamide Traditional Name: (4R)-N-(2-ethylphenyl)-6-keto-2-[4-(2-pyridyl)piperazin-1-ium-1-ylidene]hexahydropyrimidine-4-carboxamide Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2CC(=O)NC(=[N+]3CCN(CC3)C4=CC=CC=N4)N2

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)[C@H]2CC(=O)NC(=[N+]3CCN(CC3)C4=CC=CC=N4)N2

InChI

InChI=1S/C22H26N6O2/c1-2-16-7-3-4-8-17(16)24-21(30)18-15-20(29)26-22(25-18)28-13-11-27(12-14-28)19-9-5-6-10-23-19/h3-10,18H,2,11-15H2,1H3,(H2,24,25,26,29,30)/p+1/t18-/m1/s1