2-butyl-3-methyl-1-phenacyl-[1]benzothiolo[2,3-d]pyrimidin-1-ium-4-one bromide

Systemtic Name: 2-butyl-3-methyl-1-phenacyl-[1]benzothiolo[2,3-d]pyrimidin-1-ium-4-one bromide Openeye Name: 2-butyl-3-methyl-1-phenacyl-benzothiopheno[2,3-d]pyrimidin-1-ium-4-one bromide CAS Name: 2-butyl-3-methyl-1-phenacyl-[1]benzothiolo[2,3-d]pyrimidin-1-ium-4-one bromide IUPAC Name: 2-butyl-3-methyl-1-phenacyl-[1]benzothiolo[2,3-d]pyrimidin-1-ium-4-one bromide Traditional Name: 2-butyl-3-methyl-1-phenacyl-benzothiopheno[2,3-d]pyrimidin-1-ium-4-one bromide Formula: C23H23BrN2O2S MolecularWeight: 471.40992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C2=C(C3=CC=CC=C3S2)C(=O)N1C)CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCC1=[N+](C2=C(C3=CC=CC=C3S2)C(=O)N1C)CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H23N2O2S.BrH/c1-3-4-14-20-24(2)22(27)21-17-12-8-9-13-19(17)28-23(21)25(20)15-18(26)16-10-6-5-7-11-16;/h5-13H,3-4,14-15H2,1-2H3;1H/q+1;/p-1