1-(2-methylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(o-tolyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(2-methylphenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(o-tolyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C15H19N4S+ MolecularWeight: 287.40316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCCNC2=CC=CC=[NH+]2

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C15H18N4S/c1-12-6-2-3-7-13(12)19-15(20)18-11-10-17-14-8-4-5-9-16-14/h2-9H,10-11H2,1H3,(H,16,17)(H2,18,19,20)/p+1