[7-[bis(2-methoxyethyl)amino]phenothiazin-3-ylidene]-dibutyl-azanium

Systemtic Name: [7-[bis(2-methoxyethyl)amino]phenothiazin-3-ylidene]-dibutyl-azanium Openeye Name: [7-[bis(2-methoxyethyl)amino]phenothiazin-3-ylidene]-dibutyl-ammonium CAS Name: [7-[bis(2-methoxyethyl)amino]-3-phenothiazinylidene]-dibutylammonium IUPAC Name: [7-[bis(2-methoxyethyl)amino]phenothiazin-3-ylidene]-dibutylazanium Traditional Name: [7-[bis(2-methoxyethyl)amino]phenothiazin-3-ylidene]-dibutyl-ammonium Formula: C26H38N3O2S+ MolecularWeight: 456.66382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCOC)CCOC)SC2=C1)CCCC

Isomeric SMILES

CCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCOC)CCOC)SC2=C1)CCCC

InChI

InChI=1S/C26H38N3O2S/c1-5-7-13-28(14-8-6-2)21-9-11-23-25(19-21)32-26-20-22(10-12-24(26)27-23)29(15-17-30-3)16-18-31-4/h9-12,19-20H,5-8,13-18H2,1-4H3/q+1