1-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea

Systemtic Name: 1-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Openeye Name: 1-[(3S)-1-(3-fluorophenyl)-5-oxo-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea CAS Name: 1-[(3S)-1-(3-fluorophenyl)-5-oxo-3-pyrrolidinyl]-3-[3-(1-piperidin-1-iumyl)propyl]urea IUPAC Name: 1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Traditional Name: 1-[(3S)-1-(3-fluorophenyl)-5-keto-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Formula: C19H28FN4O2+ MolecularWeight: 363.449623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)NC2CC(=O)N(C2)C3=CC(=CC=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)N[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H27FN4O2/c20-15-6-4-7-17(12-15)24-14-16(13-18(24)25)22-19(26)21-8-5-11-23-9-2-1-3-10-23/h4,6-7,12,16H,1-3,5,8-11,13-14H2,(H2,21,22,26)/p+1/t16-/m0/s1