1-(3-fluoranyl-4-methyl-phenyl)-3-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[3-(1-pyrrolidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-(3-pyrrolidin-1-ium-1-ylpropyl)thiourea Formula: C15H23FN3S+ MolecularWeight: 296.426623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+]2CCCC2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+]2CCCC2)F

InChI

InChI=1S/C15H22FN3S/c1-12-5-6-13(11-14(12)16)18-15(20)17-7-4-10-19-8-2-3-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,18,20)/p+1