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

Systemtic Name: N5,N9,N9-triethyl-12bH-benzo[a]phenothiazin-12-ium-5,9-diamine chloride Openeye Name: N5,N9,N9-triethyl-12bH-benzo[a]phenothiazin-12-ium-5,9-diamine chloride CAS Name: N5,N9,N9-triethyl-12bH-benzo[a]phenothiazin-12-ium-5,9-diamine chloride IUPAC Name: 5-N,9-N,9-N-triethyl-12bH-benzo[a]phenothiazin-12-ium-5,9-diamine chloride Traditional Name: diethyl-[5-(ethylamino)-12bH-benzo[a]phenothiazin-12-ium-9-yl]amine chloride Formula: C22H26ClN3S MolecularWeight: 399.97994

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3S.ClH/c1-4-23-19-14-21-22(17-10-8-7-9-16(17)19)24-18-12-11-15(13-20(18)26-21)25(5-2)6-3;/h7-14,17,23H,4-6H2,1-3H3;1H