N-phenyl-5-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: N-phenyl-5-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-phenyl-5-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-2-amine CAS Name: N-phenyl-5-(1-pyridin-1-iumylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-phenyl-5-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-2-amine Traditional Name: phenyl-[5-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-2-yl]amine Formula: C14H13N4S+ MolecularWeight: 269.34482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)C[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)C[N+]3=CC=CC=C3

InChI

InChI=1S/C14H13N4S/c1-3-7-12(8-4-1)15-14-17-16-13(19-14)11-18-9-5-2-6-10-18/h1-10H,11H2,(H,15,17)/q+1