1-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea

Systemtic Name: 1-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Openeye Name: 1-[(3S)-1-(3-fluorophenyl)-5-oxo-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea CAS Name: 1-[(3S)-1-(3-fluorophenyl)-5-oxo-3-pyrrolidinyl]-3-(4-methyl-1-piperazin-4-iumyl)urea IUPAC Name: 1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Traditional Name: 1-[(3S)-1-(3-fluorophenyl)-5-keto-pyrrolidin-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)urea Formula: C16H23FN5O2+ MolecularWeight: 336.384523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)NC2CC(=O)N(C2)C3=CC(=CC=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)N[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C16H22FN5O2/c1-20-5-7-21(8-6-20)19-16(24)18-13-10-15(23)22(11-13)14-4-2-3-12(17)9-14/h2-4,9,13H,5-8,10-11H2,1H3,(H2,18,19,24)/p+1/t13-/m0/s1