8-methyl-3-(1-phenylpropan-2-yl)-2H-1,3-benzothiazin-3-ium

Systemtic Name: 8-methyl-3-(1-phenylpropan-2-yl)-2H-1,3-benzothiazin-3-ium Openeye Name: 8-methyl-3-(1-methyl-2-phenyl-ethyl)-2H-1,3-benzothiazin-3-ium CAS Name: 8-methyl-3-(1-phenylpropan-2-yl)-2H-1,3-benzothiazin-3-ium IUPAC Name: 8-methyl-3-(1-phenylpropan-2-yl)-2H-1,3-benzothiazin-3-ium Traditional Name: 8-methyl-3-(1-methyl-2-phenyl-ethyl)-2H-1,3-benzothiazin-3-ium Formula: C18H20NS+ MolecularWeight: 282.4231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20NS/c1-14-7-6-10-17-12-19(13-20-18(14)17)15(2)11-16-8-4-3-5-9-16/h3-10,12,15H,11,13H2,1-2H3/q+1