(8-azanylphenoxazin-3-ylidene)-[3-(2,4-dimethyl-6-propanoyloxy-phenyl)-3-methyl-butanoyl]-methyl-azanium

Systemtic Name: (8-azanylphenoxazin-3-ylidene)-[3-(2,4-dimethyl-6-propanoyloxy-phenyl)-3-methyl-butanoyl]-methyl-azanium Openeye Name: (8-aminophenoxazin-3-ylidene)-[3-(2,4-dimethyl-6-propanoyloxy-phenyl)-3-methyl-butanoyl]-methyl-ammonium CAS Name: (8-amino-3-phenoxazinylidene)-[3-[2,4-dimethyl-6-(1-oxopropoxy)phenyl]-3-methyl-1-oxobutyl]-methylammonium IUPAC Name: (8-aminophenoxazin-3-ylidene)-[3-(2,4-dimethyl-6-propanoyloxyphenyl)-3-methylbutanoyl]-methylazanium Traditional Name: (8-aminophenoxazin-3-ylidene)-[3-(2,4-dimethyl-6-propionyloxy-phenyl)-3-methyl-butanoyl]-methyl-ammonium Formula: C29H32N3O4+ MolecularWeight: 486.58208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=C1C(C)(C)CC(=O)[N+](=C2C=CC3=NC4=C(C=CC(=C4)N)OC3=C2)C)C)C

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=C1C(C)(C)CC(=O)[N+](=C2C=CC3=NC4=C(C=CC(=C4)N)OC3=C2)C)C)C

InChI

InChI=1S/C29H32N3O4/c1-7-27(34)36-25-13-17(2)12-18(3)28(25)29(4,5)16-26(33)32(6)20-9-10-21-24(15-20)35-23-11-8-19(30)14-22(23)31-21/h8-15H,7,16,30H2,1-6H3/q+1