1-pentyl-3-(phenylmethyl)-2H-1,2,6-thiadiazin-1-ium-5-one

Systemtic Name: 1-pentyl-3-(phenylmethyl)-2H-1,2,6-thiadiazin-1-ium-5-one Openeye Name: 3-benzyl-1-pentyl-2H-1,2,6-thiadiazin-1-ium-5-one CAS Name: 1-pentyl-3-(phenylmethyl)-2H-1,2,6-thiadiazin-1-ium-5-one IUPAC Name: 3-benzyl-1-pentyl-2H-1,2,6-thiadiazin-1-ium-5-one Traditional Name: 1-amyl-3-benzyl-2H-1,2,6-thiadiazin-1-ium-5-one Formula: C15H21N2OS+ MolecularWeight: 277.40504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[S+]1NC(=CC(=O)N1)CC2=CC=CC=C2

Isomeric SMILES

CCCCC[S+]1NC(=CC(=O)N1)CC2=CC=CC=C2

InChI

InChI=1S/C15H20N2OS/c1-2-3-7-10-19-16-14(12-15(18)17-19)11-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H-,16,17,18)/p+1