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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3OS/c1-15-5-8-17(13-19(15)22)24-21(27)23-14-20(25-11-3-4-12-25)16-6-9-18(26-2)10-7-16/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H2,23,24,27)/p+1/t20-/m1/s1