2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-1,1,3-triphenyl-propan-1-ol

Systemtic Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-1,1,3-triphenyl-propan-1-ol Openeye Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-1,1,3-triphenyl-propan-1-ol CAS Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-1,1,3-triphenyl-1-propanol IUPAC Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-1,1,3-triphenylpropan-1-ol Traditional Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-1,1,3-triphenyl-propan-1-ol Formula: C30H28NOS+ MolecularWeight: 450.61442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC[N+](=C2)C(CC3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=CC2=C1SC[N+](=C2)C(CC3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C30H28NOS/c1-23-12-11-15-25-21-31(22-33-29(23)25)28(20-24-13-5-2-6-14-24)30(32,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-19,21,28,32H,20,22H2,1H3/q+1