[7-[bis(2-hydroxyethyl)amino]phenothiazin-3-ylidene]-dipentyl-azanium

Systemtic Name: [7-[bis(2-hydroxyethyl)amino]phenothiazin-3-ylidene]-dipentyl-azanium Openeye Name: [7-[bis(2-hydroxyethyl)amino]phenothiazin-3-ylidene]-dipentyl-ammonium CAS Name: [7-[bis(2-hydroxyethyl)amino]-3-phenothiazinylidene]-dipentylammonium IUPAC Name: [7-[bis(2-hydroxyethyl)amino]phenothiazin-3-ylidene]-dipentylazanium Traditional Name: diamyl-[7-[bis(2-hydroxyethyl)amino]phenothiazin-3-ylidene]ammonium Formula: C26H38N3O2S+ MolecularWeight: 456.66382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCO)CCO)SC2=C1)CCCCC

Isomeric SMILES

CCCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCO)CCO)SC2=C1)CCCCC

InChI

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