4-[benzo[a]phenoxazin-12-ium-5-ylidene-(4-dimethylaminophenyl)methyl]-N,N-dimethyl-aniline chloride

Systemtic Name: 4-[benzo[a]phenoxazin-12-ium-5-ylidene-(4-dimethylaminophenyl)methyl]-N,N-dimethyl-aniline chloride Openeye Name: 4-[benzo[a]phenoxazin-12-ium-5-ylidene-(4-dimethylaminophenyl)methyl]-N,N-dimethyl-aniline chloride CAS Name: 4-[5-benzo[a]phenoxazin-12-iumylidene-(4-dimethylaminophenyl)methyl]-N,N-dimethylaniline chloride IUPAC Name: 4-[benzo[a]phenoxazin-12-ium-5-ylidene-(4-dimethylaminophenyl)methyl]-N,N-dimethylaniline chloride Traditional Name: [4-[benzo[a]phenoxazin-12-ium-5-ylidene-(4-dimethylaminophenyl)methyl]phenyl]-dimethyl-amine chloride Formula: C33H30ClN3O MolecularWeight: 520.0638

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=C2C=C3C(=[NH+]C4=CC=CC=C4O3)C5=CC=CC=C52)C6=CC=C(C=C6)N(C)C.[Cl-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=C2C=C3C(=[NH+]C4=CC=CC=C4O3)C5=CC=CC=C52)C6=CC=C(C=C6)N(C)C.[Cl-]

InChI

InChI=1S/C33H29N3O.ClH/c1-35(2)24-17-13-22(14-18-24)32(23-15-19-25(20-16-23)36(3)4)28-21-31-33(27-10-6-5-9-26(27)28)34-29-11-7-8-12-30(29)37-31;/h5-21H,1-4H3;1H