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

Systemtic Name: 1-(4-nitrophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(4-nitrophenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C14H16N5O2S+ MolecularWeight: 318.37414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCCNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O2S/c20-19(21)12-6-4-11(5-7-12)18-14(22)17-10-9-16-13-3-1-2-8-15-13/h1-8H,9-10H2,(H,15,16)(H2,17,18,22)/p+1