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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea Formula: C18H23FN3S2+ MolecularWeight: 364.523723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NCC2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=S)NCC2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C18H22FN3S2/c19-15-7-5-14(6-8-15)12-20-18(23)21-13-16(17-4-3-11-24-17)22-9-1-2-10-22/h3-8,11,16H,1-2,9-10,12-13H2,(H2,20,21,23)/p+1/t16-/m0/s1