2,2-dimethyl-5-(2-methylpropyl)-1,3-dihydrophenothiazin-5-ium-4-olate

Systemtic Name: 2,2-dimethyl-5-(2-methylpropyl)-1,3-dihydrophenothiazin-5-ium-4-olate Openeye Name: 5-isobutyl-2,2-dimethyl-1,3-dihydrophenothiazin-5-ium-4-olate CAS Name: 2,2-dimethyl-5-(2-methylpropyl)-1,3-dihydrophenothiazin-5-ium-4-olate IUPAC Name: 2,2-dimethyl-5-(2-methylpropyl)-1,3-dihydrophenothiazin-5-ium-4-olate Traditional Name: 5-isobutyl-2,2-dimethyl-1,3-dihydrophenothiazin-5-ium-4-olate Formula: C18H23NOS MolecularWeight: 301.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[S+]1C2=CC=CC=C2N=C3C1=C(CC(C3)(C)C)[O-]

Isomeric SMILES

CC(C)C[S+]1C2=CC=CC=C2N=C3C1=C(CC(C3)(C)C)[O-]

InChI

InChI=1S/C18H23NOS/c1-12(2)11-21-16-8-6-5-7-13(16)19-14-9-18(3,4)10-15(20)17(14)21/h5-8,12H,9-11H2,1-4H3