8-methyl-3-[4-(4-phenylphenyl)phenyl]-2H-1,3-benzothiazin-3-ium

Systemtic Name: 8-methyl-3-[4-(4-phenylphenyl)phenyl]-2H-1,3-benzothiazin-3-ium Openeye Name: 8-methyl-3-[4-(4-phenylphenyl)phenyl]-2H-1,3-benzothiazin-3-ium CAS Name: 8-methyl-3-[4-(4-phenylphenyl)phenyl]-2H-1,3-benzothiazin-3-ium IUPAC Name: 8-methyl-3-[4-(4-phenylphenyl)phenyl]-2H-1,3-benzothiazin-3-ium Traditional Name: 8-methyl-3-[4-(4-phenylphenyl)phenyl]-2H-1,3-benzothiazin-3-ium Formula: C27H22NS+ MolecularWeight: 392.53528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC[N+](=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1SC[N+](=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22NS/c1-20-6-5-9-25-18-28(19-29-27(20)25)26-16-14-24(15-17-26)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-18H,19H2,1H3/q+1