1-(4-chloranyl-2-methyl-phenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea Openeye Name: 1-(4-chloro-2-methyl-phenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea CAS Name: 1-(4-chloro-2-methylphenyl)-3-(3-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-(4-chloro-2-methylphenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea Traditional Name: 1-(4-chloro-2-methyl-phenyl)-3-(pyridin-1-ium-3-ylmethyl)thiourea Formula: C14H15ClN3S+ MolecularWeight: 292.807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=C[NH+]=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=S)NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C14H14ClN3S/c1-10-7-12(15)4-5-13(10)18-14(19)17-9-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H2,17,18,19)/p+1