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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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