2-hydroxyethyl-methyl-[3-[(1-methyl-13-oxidanyl-8-oxidanylidene-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[3-[(1-methyl-13-oxidanyl-8-oxidanylidene-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]azanium Openeye Name: 2-hydroxyethyl-[3-[(13-hydroxy-1-methyl-8-oxo-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]-methyl-ammonium CAS Name: 2-hydroxyethyl-[3-[(13-hydroxy-1-methyl-8-oxo-7-naphtho[2,3-a]phenoxazin-14-iumyl)amino]propyl]-methylammonium IUPAC Name: 2-hydroxyethyl-[3-[(13-hydroxy-1-methyl-8-oxonaphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]-methylazanium Traditional Name: 2-hydroxyethyl-[3-[(13-hydroxy-8-keto-1-methyl-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]-methyl-ammonium Formula: C27H29N3O4+2 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCCC[NH+](C)CCO

Isomeric SMILES

CC1=C2C(=CC=C1)OC3=CC(=C4C(=C(C5=CC=CC=C5C4=O)O)C3=[NH+]2)NCCC[NH+](C)CCO

InChI

InChI=1S/C27H27N3O4/c1-16-7-5-10-20-24(16)29-25-21(34-20)15-19(28-11-6-12-30(2)13-14-31)22-23(25)27(33)18-9-4-3-8-17(18)26(22)32/h3-5,7-10,15,28,31,33H,6,11-14H2,1-2H3/p+2