3-chloranylpropyl-[9-(ethylamino)-10-methyl-benzo[a]phenoxazin-5-ylidene]azanium chloride

Systemtic Name: 3-chloranylpropyl-[9-(ethylamino)-10-methyl-benzo[a]phenoxazin-5-ylidene]azanium chloride Openeye Name: 3-chloropropyl-[9-(ethylamino)-10-methyl-benzo[a]phenoxazin-5-ylidene]ammonium chloride CAS Name: 3-chloropropyl-[9-(ethylamino)-10-methyl-5-benzo[a]phenoxazinylidene]ammonium chloride IUPAC Name: 3-chloropropyl-[9-(ethylamino)-10-methylbenzo[a]phenoxazin-5-ylidene]azanium chloride Traditional Name: 3-chloropropyl-[9-(ethylamino)-10-methyl-benzo[a]phenoxazin-5-ylidene]ammonium chloride Formula: C22H23Cl2N3O MolecularWeight: 416.34352

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1C)N=C3C4=CC=CC=C4C(=[NH+]CCCCl)C=C3O2.[Cl-]

Isomeric SMILES

CCNC1=CC2=C(C=C1C)N=C3C4=CC=CC=C4C(=[NH+]CCCCl)C=C3O2.[Cl-]

InChI

InChI=1S/C22H22ClN3O.ClH/c1-3-24-17-12-20-19(11-14(17)2)26-22-16-8-5-4-7-15(16)18(13-21(22)27-20)25-10-6-9-23;/h4-5,7-8,11-13,24H,3,6,9-10H2,1-2H3;1H