2-hydroxyethyl-methyl-[3-[(13-oxidanyl-8-oxidanylidene-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[3-[(13-oxidanyl-8-oxidanylidene-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]azanium Openeye Name: 2-hydroxyethyl-[3-[(13-hydroxy-8-oxo-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]-methyl-ammonium CAS Name: 2-hydroxyethyl-[3-[(13-hydroxy-8-oxo-7-naphtho[2,3-a]phenoxazin-14-iumyl)amino]propyl]-methylammonium IUPAC Name: 2-hydroxyethyl-[3-[(13-hydroxy-8-oxonaphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]-methylazanium Traditional Name: 2-hydroxyethyl-[3-[(13-hydroxy-8-keto-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]-methyl-ammonium Formula: C26H27N3O4+2 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC1=C2C(=C(C3=CC=CC=C3C2=O)O)C4=[NH+]C5=CC=CC=C5OC4=C1)CCO

Isomeric SMILES

C[NH+](CCCNC1=C2C(=C(C3=CC=CC=C3C2=O)O)C4=[NH+]C5=CC=CC=C5OC4=C1)CCO

InChI

InChI=1S/C26H25N3O4/c1-29(13-14-30)12-6-11-27-19-15-21-24(28-18-9-4-5-10-20(18)33-21)23-22(19)25(31)16-7-2-3-8-17(16)26(23)32/h2-5,7-10,15,27,30,32H,6,11-14H2,1H3/p+2