(4R)-N-(3-chloranyl-4-fluoranyl-phenyl)-6-oxidanylidene-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide

Systemtic Name: (4R)-N-(3-chloranyl-4-fluoranyl-phenyl)-6-oxidanylidene-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide Openeye Name: (4R)-N-(3-chloro-4-fluoro-phenyl)-6-oxo-2-piperidin-1-ium-1-ylidene-hexahydropyrimidine-4-carboxamide CAS Name: (4R)-N-(3-chloro-4-fluorophenyl)-6-oxo-2-(1-piperidin-1-iumylidene)-1,3-diazinane-4-carboxamide IUPAC Name: (4R)-N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide Traditional Name: (4R)-N-(3-chloro-4-fluoro-phenyl)-6-keto-2-piperidin-1-ium-1-ylidene-hexahydropyrimidine-4-carboxamide Formula: C16H19ClFN4O2+ MolecularWeight: 353.799063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2NC(CC(=O)N2)C(=O)NC3=CC(=C(C=C3)F)Cl)CC1

Isomeric SMILES

C1CC[N+](=C2N[C@H](CC(=O)N2)C(=O)NC3=CC(=C(C=C3)F)Cl)CC1

InChI

InChI=1S/C16H18ClFN4O2/c17-11-8-10(4-5-12(11)18)19-15(24)13-9-14(23)21-16(20-13)22-6-2-1-3-7-22/h4-5,8,13H,1-3,6-7,9H2,(H2,19,20,21,23,24)/p+1/t13-/m1/s1