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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C21H27FN3OS+ MolecularWeight: 388.521983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=C(C=C2)F)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCC2=CC=C(C=C2)F)[NH+]3CCCC3

InChI

InChI=1S/C21H26FN3OS/c1-26-19-10-6-17(7-11-19)20(25-12-2-3-13-25)15-24-21(27)23-14-16-4-8-18(22)9-5-16/h4-11,20H,2-3,12-15H2,1H3,(H2,23,24,27)/p+1/t20-/m0/s1