4-pyridin-1-ium-3-yloxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-pyridin-1-ium-3-yloxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-pyridin-1-ium-3-yloxy-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(3-pyridin-1-iumyloxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-pyridin-1-ium-3-yloxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-pyridin-1-ium-3-yloxy-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C15H14N3OS+ MolecularWeight: 284.35616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=CN=C3S2)OC4=C[NH+]=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=CN=C3S2)OC4=C[NH+]=CC=C4

InChI

InChI=1S/C15H13N3OS/c1-2-6-12-11(5-1)13-14(17-9-18-15(13)20-12)19-10-4-3-7-16-8-10/h3-4,7-9H,1-2,5-6H2/p+1