1-(3-chlorophenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 1-(3-chlorophenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 1-(3-chlorophenyl)-3-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-(3-chlorophenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 1-(3-chlorophenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C13H13ClN3S+ MolecularWeight: 278.78042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=S)NCC2=C[NH+]=CC=C2

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=S)NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C13H12ClN3S/c14-11-4-1-5-12(7-11)17-13(18)16-9-10-3-2-6-15-8-10/h1-8H,9H2,(H2,16,17,18)/p+1