1-[(4-fluorophenyl)methyl]-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H27FN3S+ MolecularWeight: 372.522583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3S/c22-20-10-8-17(9-11-20)14-23-21(26)24-15-18-6-2-3-7-19(18)16-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-16H2,(H2,23,24,26)/p+1