[7-(dihexylamino)phenothiazin-3-ylidene]-dipropyl-azanium iodide

Systemtic Name: [7-(dihexylamino)phenothiazin-3-ylidene]-dipropyl-azanium iodide Openeye Name: [7-(dihexylamino)phenothiazin-3-ylidene]-dipropyl-ammonium iodide CAS Name: [7-(dihexylamino)-3-phenothiazinylidene]-dipropylammonium iodide IUPAC Name: [7-(dihexylamino)phenothiazin-3-ylidene]-dipropylazanium iodide Traditional Name: [7-(dihexylamino)phenothiazin-3-ylidene]-dipropyl-ammonium iodide Formula: C30H46IN3S MolecularWeight: 607.67581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCC)CCC)C=C3S2.[I-]

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCC)CCC)C=C3S2.[I-]

InChI

InChI=1S/C30H46N3S.HI/c1-5-9-11-13-21-33(22-14-12-10-6-2)26-16-18-28-30(24-26)34-29-23-25(15-17-27(29)31-28)32(19-7-3)20-8-4;/h15-18,23-24H,5-14,19-22H2,1-4H3;1H/q+1;/p-1