1-phenyl-3-(pyridin-1-ium-2-ylmethyl)thiourea

Systemtic Name: 1-phenyl-3-(pyridin-1-ium-2-ylmethyl)thiourea Openeye Name: 1-phenyl-3-(pyridin-1-ium-2-ylmethyl)thiourea CAS Name: 1-phenyl-3-(2-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-phenyl-3-(pyridin-1-ium-2-ylmethyl)thiourea Traditional Name: 1-phenyl-3-(pyridin-1-ium-2-ylmethyl)thiourea Formula: C13H14N3S+ MolecularWeight: 244.33536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=[NH+]2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=[NH+]2

InChI

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