N5,N9,N9-triethyl-2-iodanyl-12bH-benzo[a]phenothiazin-12-ium-5,9-diamine chloride

Systemtic Name: N5,N9,N9-triethyl-2-iodanyl-12bH-benzo[a]phenothiazin-12-ium-5,9-diamine chloride Openeye Name: N5,N9,N9-triethyl-2-iodo-12bH-benzo[a]phenothiazin-12-ium-5,9-diamine chloride CAS Name: N5,N9,N9-triethyl-2-iodo-12bH-benzo[a]phenothiazin-12-ium-5,9-diamine chloride IUPAC Name: 5-N,9-N,9-N-triethyl-2-iodo-12bH-benzo[a]phenothiazin-12-ium-5,9-diamine chloride Traditional Name: diethyl-[5-(ethylamino)-2-iodo-12bH-benzo[a]phenothiazin-12-ium-9-yl]amine chloride Formula: C22H25ClIN3S MolecularWeight: 525.87647

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C=CC(=CC2C3=[NH+]C4=C(C=C(C=C4)N(CC)CC)SC3=C1)I.[Cl-]

Isomeric SMILES

CCNC1=C2C=CC(=CC2C3=[NH+]C4=C(C=C(C=C4)N(CC)CC)SC3=C1)I.[Cl-]

InChI

InChI=1S/C22H24IN3S.ClH/c1-4-24-19-13-21-22(17-11-14(23)7-9-16(17)19)25-18-10-8-15(12-20(18)27-21)26(5-2)6-3;/h7-13,17,24H,4-6H2,1-3H3;1H