8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-keto-2-methyl-chromen-7-olate Formula: C25H29NO5 MolecularWeight: 423.50146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCCC3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCCC3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29NO5/c1-16-23(17-8-11-21(29-2)22(14-17)30-3)24(28)18-9-10-20(27)19(25(18)31-16)15-26-12-6-4-5-7-13-26/h8-11,14,27H,4-7,12-13,15H2,1-3H3