1-phenyl-3-(2-pyridin-1-ium-4-ylethyl)thiourea

Systemtic Name: 1-phenyl-3-(2-pyridin-1-ium-4-ylethyl)thiourea Openeye Name: 1-phenyl-3-(2-pyridin-1-ium-4-ylethyl)thiourea CAS Name: 1-phenyl-3-[2-(4-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 1-phenyl-3-(2-pyridin-1-ium-4-ylethyl)thiourea Traditional Name: 1-phenyl-3-(2-pyridin-1-ium-4-ylethyl)thiourea Formula: C14H16N3S+ MolecularWeight: 258.36194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCC2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCC2=CC=[NH+]C=C2

InChI

InChI=1S/C14H15N3S/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h1-7,9-10H,8,11H2,(H2,16,17,18)/p+1