(E)-1-hydroxyethyl-[7-[1-hydroxyethyl(methyl)amino]phenothiazin-3-ylidene]-methyl-azanium bromide

Systemtic Name: (E)-1-hydroxyethyl-[7-[1-hydroxyethyl(methyl)amino]phenothiazin-3-ylidene]-methyl-azanium bromide Openeye Name: (E)-1-hydroxyethyl-[7-[1-hydroxyethyl(methyl)amino]phenothiazin-3-ylidene]-methyl-ammonium bromide CAS Name: (E)-1-hydroxyethyl-[7-[1-hydroxyethyl(methyl)amino]-3-phenothiazinylidene]-methylammonium bromide IUPAC Name: (E)-1-hydroxyethyl-[7-[1-hydroxyethyl(methyl)amino]phenothiazin-3-ylidene]-methylazanium bromide Traditional Name: (E)-1-hydroxyethyl-[7-[1-hydroxyethyl(methyl)amino]phenothiazin-3-ylidene]-methyl-ammonium bromide Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C(C)O)C=C3S2)O.[Br-]

Isomeric SMILES

CC(N(C)C1=CC2=C(C=C1)N=C3C=C/C(=[N+](/C)\C(C)O)/C=C3S2)O.[Br-]

InChI

InChI=1S/C18H22N3O2S.BrH/c1-11(22)20(3)13-5-7-15-17(9-13)24-18-10-14(21(4)12(2)23)6-8-16(18)19-15;/h5-12,22-23H,1-4H3;1H/q+1;/p-1