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

Systemtic Name: 2-carboxyethyl-[9-(ethylamino)-10-methyl-benzo[a]phenoxazin-5-ylidene]azanium chloride Openeye Name: 2-carboxyethyl-[9-(ethylamino)-10-methyl-benzo[a]phenoxazin-5-ylidene]ammonium chloride CAS Name: 2-carboxyethyl-[9-(ethylamino)-10-methyl-5-benzo[a]phenoxazinylidene]ammonium chloride IUPAC Name: 2-carboxyethyl-[9-(ethylamino)-10-methylbenzo[a]phenoxazin-5-ylidene]azanium chloride Traditional Name: 2-carboxyethyl-[9-(ethylamino)-10-methyl-benzo[a]phenoxazin-5-ylidene]ammonium chloride Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3.ClH/c1-3-23-16-11-19-18(10-13(16)2)25-22-15-7-5-4-6-14(15)17(12-20(22)28-19)24-9-8-21(26)27;/h4-7,10-12,23H,3,8-9H2,1-2H3,(H,26,27);1H