1-[3-(pyridin-3-ylmethyl)-3,4,5,6,7,8-hexahydro-2H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-1-yl]ethanone

Systemtic Name: 1-[3-(pyridin-3-ylmethyl)-3,4,5,6,7,8-hexahydro-2H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-1-yl]ethanone Openeye Name: 1-[3-(3-pyridylmethyl)-3,4,5,6,7,8-hexahydro-2H-benzothiopheno[2,3-d]pyrimidin-3-ium-1-yl]ethanone CAS Name: 1-[3-(3-pyridinylmethyl)-3,4,5,6,7,8-hexahydro-2H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-1-yl]ethanone IUPAC Name: 1-[3-(pyridin-3-ylmethyl)-3,4,5,6,7,8-hexahydro-2H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-1-yl]ethanone Traditional Name: 1-[3-(3-pyridylmethyl)-3,4,5,6,7,8-hexahydro-2H-benzothiopheno[2,3-d]pyrimidin-3-ium-1-yl]ethanone Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C[NH+](CC2=C1SC3=C2CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC(=O)N1C[NH+](CC2=C1SC3=C2CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C18H21N3OS/c1-13(22)21-12-20(10-14-5-4-8-19-9-14)11-16-15-6-2-3-7-17(15)23-18(16)21/h4-5,8-9H,2-3,6-7,10-12H2,1H3/p+1