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

Systemtic Name: 1-(4-ethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C16H21N4S+ MolecularWeight: 301.42974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCCNC2=CC=CC=[NH+]2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NCCNC2=CC=CC=[NH+]2

InChI

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