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

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C22H29FN3OS+ MolecularWeight: 402.548563

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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+]3CCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3)F

InChI

InChI=1S/C22H28FN3OS/c1-16-6-9-18(14-20(16)23)25-22(28)24-15-21(26-12-4-3-5-13-26)17-7-10-19(27-2)11-8-17/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H2,24,25,28)/p+1/t21-/m1/s1