1-(3-fluoranyl-4-methyl-phenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C20H25FN3S+ MolecularWeight: 358.496003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(C2=CC=CC=C2)[NH+]3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=CC=C2)[NH+]3CCCC3)F

InChI

InChI=1S/C20H24FN3S/c1-15-9-10-17(13-18(15)21)23-20(25)22-14-19(24-11-5-6-12-24)16-7-3-2-4-8-16/h2-4,7-10,13,19H,5-6,11-12,14H2,1H3,(H2,22,23,25)/p+1/t19-/m1/s1