phenyl-(3-phenyl-1,4-benzothiazin-1-ium-2-yl)methanone

Systemtic Name: phenyl-(3-phenyl-1,4-benzothiazin-1-ium-2-yl)methanone Openeye Name: phenyl-(3-phenyl-1,4-benzothiazin-1-ium-2-yl)methanone CAS Name: phenyl-(3-phenyl-1,4-benzothiazin-1-ium-2-yl)methanone IUPAC Name: phenyl-(3-phenyl-1,4-benzothiazin-1-ium-2-yl)methanone Traditional Name: phenyl-(3-phenyl-1,4-benzothiazin-1-ium-2-yl)methanone Formula: C21H14NOS+ MolecularWeight: 328.40696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3[S+]=C2C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3[S+]=C2C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H14NOS/c23-20(16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)22-17-13-7-8-14-18(17)24-21/h1-14H/q+1