1-(4-methoxyphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C15H19N4OS+ MolecularWeight: 303.40256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCCNC2=CC=CC=[NH+]2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C15H18N4OS/c1-20-13-7-5-12(6-8-13)19-15(21)18-11-10-17-14-4-2-3-9-16-14/h2-9H,10-11H2,1H3,(H,16,17)(H2,18,19,21)/p+1