dimethyl-[8-methyl-7-[[2-oxidanylidene-2-(2-tetradecoxyphenyl)ethyl]amino]phenothiazin-3-ylidene]azanium bromide

Systemtic Name: dimethyl-[8-methyl-7-[[2-oxidanylidene-2-(2-tetradecoxyphenyl)ethyl]amino]phenothiazin-3-ylidene]azanium bromide Openeye Name: dimethyl-[8-methyl-7-[[2-oxo-2-(2-tetradecoxyphenyl)ethyl]amino]phenothiazin-3-ylidene]ammonium bromide CAS Name: dimethyl-[8-methyl-7-[[2-oxo-2-(2-tetradecoxyphenyl)ethyl]amino]-3-phenothiazinylidene]ammonium bromide IUPAC Name: dimethyl-[8-methyl-7-[[2-oxo-2-(2-tetradecoxyphenyl)ethyl]amino]phenothiazin-3-ylidene]azanium bromide Traditional Name: [7-[[2-keto-2-(2-myristyloxyphenyl)ethyl]amino]-8-methyl-phenothiazin-3-ylidene]-dimethyl-ammonium bromide Formula: C37H50BrN3O2S MolecularWeight: 680.7808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CNC2=CC3=C(C=C2C)N=C4C=CC(=[N+](C)C)C=C4S3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CNC2=CC3=C(C=C2C)N=C4C=CC(=[N+](C)C)C=C4S3.[Br-]

InChI

InChI=1S/C37H49N3O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-42-35-20-17-16-19-30(35)34(41)27-38-32-26-37-33(24-28(32)2)39-31-22-21-29(40(3)4)25-36(31)43-37;/h16-17,19-22,24-26H,5-15,18,23,27H2,1-4H3;1H