7-morpholin-4-ium-4-ylidene-N,N-dipropyl-phenothiazin-3-amine iodide

Systemtic Name: 7-morpholin-4-ium-4-ylidene-N,N-dipropyl-phenothiazin-3-amine iodide Openeye Name: 7-morpholin-4-ium-4-ylidene-N,N-dipropyl-phenothiazin-3-amine iodide CAS Name: 7-(4-morpholin-4-iumylidene)-N,N-dipropyl-3-phenothiazinamine iodide IUPAC Name: 7-morpholin-4-ium-4-ylidene-N,N-dipropylphenothiazin-3-amine iodide Traditional Name: (7-morpholin-4-ium-4-ylidenephenothiazin-3-yl)-dipropyl-amine iodide Formula: C22H28IN3OS MolecularWeight: 509.44669

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCOCC4)C=C3S2.[I-]

Isomeric SMILES

CCCN(CCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCOCC4)C=C3S2.[I-]

InChI

InChI=1S/C22H28N3OS.HI/c1-3-9-24(10-4-2)17-5-7-19-21(15-17)27-22-16-18(6-8-20(22)23-19)25-11-13-26-14-12-25;/h5-8,15-16H,3-4,9-14H2,1-2H3;1H/q+1;/p-1