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

Systemtic Name: [7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methyl-(3-oxidanylidenebutyl)azanium Openeye Name: [7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methyl-(3-oxobutyl)ammonium CAS Name: [7-[ethyl(3-sulfopropyl)amino]-3-phenoxazinylidene]-methyl-(3-oxobutyl)ammonium IUPAC Name: [7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methyl-(3-oxobutyl)azanium Traditional Name: [7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-(3-ketobutyl)-methyl-ammonium Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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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)C)C=C3O2

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-4-25(11-5-13-31(27,28)29)18-7-9-20-22(15-18)30-21-14-17(6-8-19(21)23-20)24(3)12-10-16(2)26/h6-9,14-15H,4-5,10-13H2,1-3H3/p+1