1-(3,5-dimethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(3,5-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=CC(=CC(=C1)NC(=S)NCCNC2=CC=CC=[NH+]2)C

Isomeric SMILES

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

InChI

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