1-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-(4-methoxyphenyl)thiourea Formula: C21H28FN4OS+ MolecularWeight: 403.536623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4OS/c1-27-20-9-5-18(6-10-20)24-21(28)23-11-2-12-25-13-15-26(16-14-25)19-7-3-17(22)4-8-19/h3-10H,2,11-16H2,1H3,(H2,23,24,28)/p+1