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

Systemtic Name: (4R)-2-(4-ethylpiperazin-1-ium-1-ylidene)-N-(4-fluorophenyl)-6-oxidanylidene-1,3-diazinane-4-carboxamide Openeye Name: (4R)-2-(4-ethylpiperazin-1-ium-1-ylidene)-N-(4-fluorophenyl)-6-oxo-hexahydropyrimidine-4-carboxamide CAS Name: (4R)-2-(4-ethyl-1-piperazin-1-iumylidene)-N-(4-fluorophenyl)-6-oxo-1,3-diazinane-4-carboxamide IUPAC Name: (4R)-2-(4-ethylpiperazin-1-ium-1-ylidene)-N-(4-fluorophenyl)-6-oxo-1,3-diazinane-4-carboxamide Traditional Name: (4R)-2-(4-ethylpiperazin-1-ium-1-ylidene)-N-(4-fluorophenyl)-6-keto-hexahydropyrimidine-4-carboxamide Formula: C17H23FN5O2+ MolecularWeight: 348.395223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](=C2NC(CC(=O)N2)C(=O)NC3=CC=C(C=C3)F)CC1

Isomeric SMILES

CCN1CC[N+](=C2N[C@H](CC(=O)N2)C(=O)NC3=CC=C(C=C3)F)CC1

InChI

InChI=1S/C17H22FN5O2/c1-2-22-7-9-23(10-8-22)17-20-14(11-15(24)21-17)16(25)19-13-5-3-12(18)4-6-13/h3-6,14H,2,7-11H2,1H3,(H2,19,20,21,24,25)/p+1/t14-/m1/s1