1-(2,3-dimethylphenyl)-3-pyridin-1-ium-2-yl-thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-pyridin-1-ium-2-yl-thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-pyridin-1-ium-2-yl-thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-(2-pyridin-1-iumyl)thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-pyridin-1-ium-2-ylthiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-pyridin-1-ium-2-yl-thiourea Formula: C14H16N3S+ MolecularWeight: 258.36194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC2=CC=CC=[NH+]2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC2=CC=CC=[NH+]2)C

InChI

InChI=1S/C14H15N3S/c1-10-6-5-7-12(11(10)2)16-14(18)17-13-8-3-4-9-15-13/h3-9H,1-2H3,(H2,15,16,17,18)/p+1