(4R)-N-(4-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxidanylidene-1,3-diazinane-4-carboxamide

Systemtic Name: (4R)-N-(4-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxidanylidene-1,3-diazinane-4-carboxamide Openeye Name: (4R)-N-(4-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxo-hexahydropyrimidine-4-carboxamide CAS Name: (4R)-N-(4-fluorophenyl)-2-(4-methyl-1-piperazin-1-iumylidene)-6-oxo-1,3-diazinane-4-carboxamide IUPAC Name: (4R)-N-(4-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-ylidene)-6-oxo-1,3-diazinane-4-carboxamide Traditional Name: (4R)-N-(4-fluorophenyl)-6-keto-2-(4-methylpiperazin-1-ium-1-ylidene)hexahydropyrimidine-4-carboxamide Formula: C16H21FN5O2+ MolecularWeight: 334.368643

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](=C2NC(CC(=O)N2)C(=O)NC3=CC=C(C=C3)F)CC1

Isomeric SMILES

CN1CC[N+](=C2N[C@H](CC(=O)N2)C(=O)NC3=CC=C(C=C3)F)CC1

InChI

InChI=1S/C16H20FN5O2/c1-21-6-8-22(9-7-21)16-19-13(10-14(23)20-16)15(24)18-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H2,18,19,20,23,24)/p+1/t13-/m1/s1