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

Systemtic Name: 1-(3-phenethyl-3,4,5,6,7,8-hexahydro-2H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-1-yl)ethanone Openeye Name: 1-(3-phenethyl-3,4,5,6,7,8-hexahydro-2H-benzothiopheno[2,3-d]pyrimidin-3-ium-1-yl)ethanone CAS Name: 1-(3-phenethyl-3,4,5,6,7,8-hexahydro-2H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-1-yl)ethanone IUPAC Name: 1-(3-phenethyl-3,4,5,6,7,8-hexahydro-2H-[1]benzothiolo[2,3-d]pyrimidin-3-ium-1-yl)ethanone Traditional Name: 1-(3-phenethyl-3,4,5,6,7,8-hexahydro-2H-benzothiopheno[2,3-d]pyrimidin-3-ium-1-yl)ethanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C[NH+](CC2=C1SC3=C2CCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C[NH+](CC2=C1SC3=C2CCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H24N2OS/c1-15(23)22-14-21(12-11-16-7-3-2-4-8-16)13-18-17-9-5-6-10-19(17)24-20(18)22/h2-4,7-8H,5-6,9-14H2,1H3/p+1