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

Systemtic Name: dimethyl-[3-[(1-methyl-13-oxidanyl-8-oxidanylidene-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl]azanium Openeye Name: 3-[(13-hydroxy-1-methyl-8-oxo-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(13-hydroxy-1-methyl-8-oxo-7-naphtho[2,3-a]phenoxazin-14-iumyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(13-hydroxy-1-methyl-8-oxonaphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(13-hydroxy-8-keto-1-methyl-naphtho[2,3-a]phenoxazin-14-ium-7-yl)amino]propyl-dimethyl-ammonium Formula: C26H27N3O3+2 MolecularWeight: 429.51088

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3/c1-15-8-6-11-19-23(15)28-24-20(32-19)14-18(27-12-7-13-29(2)3)21-22(24)26(31)17-10-5-4-9-16(17)25(21)30/h4-6,8-11,14,27,31H,7,12-13H2,1-3H3/p+2