2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methyl-azanium

Systemtic Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methyl-azanium Openeye Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methyl-ammonium CAS Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]-3-phenoxazinylidene]-methylammonium IUPAC Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methylazanium Traditional Name: 2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methyl-ammonium Formula: C21H26N3O6S+ MolecularWeight: 448.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)O)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)CCC(=O)O)C=C3O2

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)CCC(=O)O)C=C3O2

InChI

InChI=1S/C21H25N3O6S/c1-3-24(10-4-12-31(27,28)29)16-6-8-18-20(14-16)30-19-13-15(5-7-17(19)22-18)23(2)11-9-21(25)26/h5-8,13-14H,3-4,9-12H2,1-2H3,(H-,25,26,27,28,29)/p+1