3-[[7-[bis(2-hydroxyethyl)amino]phenoxazin-3-ylidene]-methyl-azaniumyl]propanoate

Systemtic Name: 3-[[7-[bis(2-hydroxyethyl)amino]phenoxazin-3-ylidene]-methyl-azaniumyl]propanoate Openeye Name: 3-[[7-[bis(2-hydroxyethyl)amino]phenoxazin-3-ylidene]-methyl-ammonio]propanoate CAS Name: 3-[[7-[bis(2-hydroxyethyl)amino]-3-phenoxazinylidene]-methylammonio]propanoate IUPAC Name: 3-[[7-[bis(2-hydroxyethyl)amino]phenoxazin-3-ylidene]-methylazaniumyl]propanoate Traditional Name: 3-[[7-[bis(2-hydroxyethyl)amino]phenoxazin-3-ylidene]-methyl-ammonio]propionate Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCO)CCO)OC2=C1)CCC(=O)[O-]

Isomeric SMILES

C[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCO)CCO)OC2=C1)CCC(=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-22(7-6-20(26)27)14-2-4-16-18(12-14)28-19-13-15(3-5-17(19)21-16)23(8-10-24)9-11-25/h2-5,12-13,24-25H,6-11H2,1H3