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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C16H21N4S+ MolecularWeight: 301.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NCCNC2=CC=CC=[NH+]2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NCCNC2=CC=CC=[NH+]2)C

InChI

InChI=1S/C16H20N4S/c1-12-6-5-7-14(13(12)2)20-16(21)19-11-10-18-15-8-3-4-9-17-15/h3-9H,10-11H2,1-2H3,(H,17,18)(H2,19,20,21)/p+1