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

Systemtic Name: 1-phenyl-3-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 1-phenyl-3-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 1-phenyl-3-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-phenyl-3-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 1-phenyl-3-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C13H14N3S+ MolecularWeight: 244.33536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3S/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h1-9H,10H2,(H2,15,16,17)/p+1