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

Systemtic Name: [7-[bis(2-hydroxyethyl)amino]phenothiazin-3-ylidene]-dipropyl-azanium iodide Openeye Name: [7-[bis(2-hydroxyethyl)amino]phenothiazin-3-ylidene]-dipropyl-ammonium iodide CAS Name: [7-[bis(2-hydroxyethyl)amino]-3-phenothiazinylidene]-dipropylammonium iodide IUPAC Name: [7-[bis(2-hydroxyethyl)amino]phenothiazin-3-ylidene]-dipropylazanium iodide Traditional Name: [7-[bis(2-hydroxyethyl)amino]phenothiazin-3-ylidene]-dipropyl-ammonium iodide Formula: C22H30IN3O2S MolecularWeight: 527.46197

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCO)CCO)SC2=C1)CCC.[I-]

Isomeric SMILES

CCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCO)CCO)SC2=C1)CCC.[I-]

InChI

InChI=1S/C22H30N3O2S.HI/c1-3-9-24(10-4-2)17-5-7-19-21(15-17)28-22-16-18(6-8-20(22)23-19)25(11-13-26)12-14-27;/h5-8,15-16,26-27H,3-4,9-14H2,1-2H3;1H/q+1;/p-1