1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C20H24ClFN3S+ MolecularWeight: 392.941063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C20H23ClFN3S/c1-14-2-7-18(12-19(14)22)24-20(26)23-17-8-10-25(11-9-17)13-15-3-5-16(21)6-4-15/h2-7,12,17H,8-11,13H2,1H3,(H2,23,24,26)/p+1