1-[(4-fluorophenyl)methyl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H25FN3S+ MolecularWeight: 358.496003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3S/c21-19-9-7-16(8-10-19)13-22-20(25)23-14-17-5-1-2-6-18(17)15-24-11-3-4-12-24/h1-2,5-10H,3-4,11-15H2,(H2,22,23,25)/p+1