1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C20H23F3N3S+ MolecularWeight: 394.47693

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H22F3N3S/c21-20(22,23)17-8-4-5-9-18(17)25-19(27)24-16-10-12-26(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H2,24,25,27)/p+1