2-[2-(3-chloranylpropoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one

Systemtic Name: 2-[2-(3-chloranylpropoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Openeye Name: 2-[2-(3-chloropropoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one CAS Name: 2-[2-(3-chloropropoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one IUPAC Name: 2-[2-(3-chloropropoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Traditional Name: 2-[2-(3-chloropropoxy)phenyl]-2,4-dimethyl-4H-1,2-benzothiazin-2-ium-3-one Formula: C19H21ClNO2S+ MolecularWeight: 362.89354

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2S[N+](C1=O)(C)C3=CC=CC=C3OCCCCl

Isomeric SMILES

CC1C2=CC=CC=C2S[N+](C1=O)(C)C3=CC=CC=C3OCCCCl

InChI

InChI=1S/C19H21ClNO2S/c1-14-15-8-3-6-11-18(15)24-21(2,19(14)22)16-9-4-5-10-17(16)23-13-7-12-20/h3-6,8-11,14H,7,12-13H2,1-2H3/q+1