1-(3-chloranyl-4-methyl-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C15H18ClN4S+ MolecularWeight: 321.84822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4S/c1-11-5-6-12(10-13(11)16)20-15(21)19-9-8-18-14-4-2-3-7-17-14/h2-7,10H,8-9H2,1H3,(H,17,18)(H2,19,20,21)/p+1