1-[(4-fluorophenyl)methyl]-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Formula: C17H27FN3S+ MolecularWeight: 324.479783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H26FN3S/c1-14-5-2-3-11-21(14)12-4-10-19-17(22)20-13-15-6-8-16(18)9-7-15/h6-9,14H,2-5,10-13H2,1H3,(H2,19,20,22)/p+1/t14-/m0/s1