3-(2-chloranylphenothiazin-10-yl)propyl-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-dimethyl-azanium bromide

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-dimethyl-azanium bromide Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-dimethyl-ammonium bromide CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-dimethylammonium bromide IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-[(7-methoxy-2-oxochromen-4-yl)methyl]-dimethylazanium bromide Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-[(2-keto-7-methoxy-chromen-4-yl)methyl]-dimethyl-ammonium bromide Formula: C28H28BrClN2O3S MolecularWeight: 587.95552

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC(=O)OC5=C4C=CC(=C5)OC.[Br-]

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC(=O)OC5=C4C=CC(=C5)OC.[Br-]

InChI

InChI=1S/C28H28ClN2O3S.BrH/c1-31(2,18-19-15-28(32)34-25-17-21(33-3)10-11-22(19)25)14-6-13-30-23-7-4-5-8-26(23)35-27-12-9-20(29)16-24(27)30;/h4-5,7-12,15-17H,6,13-14,18H2,1-3H3;1H/q+1;/p-1