2-(2-methylpiperidin-1-yl)-1-phenoxathiin-2-yl-ethanone hydrobromide

Systemtic Name: 2-(2-methylpiperidin-1-yl)-1-phenoxathiin-2-yl-ethanone hydrobromide Openeye Name: 2-(2-methyl-1-piperidyl)-1-phenoxathiin-2-yl-ethanone hydrobromide CAS Name: 2-(2-methyl-1-piperidinyl)-1-(2-phenoxathiinyl)ethanone hydrobromide IUPAC Name: 2-(2-methylpiperidin-1-yl)-1-phenoxathiin-2-ylethanone hydrobromide Traditional Name: 2-(2-methylpiperidino)-1-phenoxathiin-2-yl-ethanone hydrobromide Formula: C20H22BrNO2S MolecularWeight: 420.36318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3.Br

Isomeric SMILES

CC1CCCCN1CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3.Br

InChI

InChI=1S/C20H21NO2S.BrH/c1-14-6-4-5-11-21(14)13-16(22)15-9-10-18-20(12-15)24-19-8-3-2-7-17(19)23-18;/h2-3,7-10,12,14H,4-6,11,13H2,1H3;1H