2-(phenylmethyl)-1,3-benzothiazin-3-ium-4-one perchlorate

Systemtic Name: 2-(phenylmethyl)-1,3-benzothiazin-3-ium-4-one perchlorate Openeye Name: 2-benzyl-1,3-benzothiazin-3-ium-4-one perchlorate CAS Name: 2-(phenylmethyl)-1,3-benzothiazin-3-ium-4-one perchlorate IUPAC Name: 2-benzyl-1,3-benzothiazin-3-ium-4-one perchlorate Traditional Name: 2-benzyl-1,3-benzothiazin-3-ium-4-one perchlorate Formula: C15H12ClNO5S MolecularWeight: 353.77748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=[NH+]C(=O)C3=CC=CC=C3S2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=[NH+]C(=O)C3=CC=CC=C3S2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H11NOS.ClHO4/c17-15-12-8-4-5-9-13(12)18-14(16-15)10-11-6-2-1-3-7-11;2-1(3,4)5/h1-9H,10H2;(H,2,3,4,5)