1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(1-methylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(1-methylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(1-methylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(1-methyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(1-methylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(4-fluorophenyl)-1-(1-methylpiperidin-1-ium-4-yl)-1-piperonyl-thiourea Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN3O2S/c1-24-10-8-18(9-11-24)25(21(28)23-17-5-3-16(22)4-6-17)13-15-2-7-19-20(12-15)27-14-26-19/h2-7,12,18H,8-11,13-14H2,1H3,(H,23,28)/p+1