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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3-methoxyphenoxy)-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3-methoxyphenoxy)-2-methyl-4-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(3-methoxyphenoxy)-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-keto-3-(3-methoxyphenoxy)-2-methyl-chromen-7-olate Formula: C24H27NO5 MolecularWeight: 409.47488

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)OC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCCC3)OC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H27NO5/c1-16-23(30-18-9-7-8-17(14-18)28-2)22(27)19-10-11-21(26)20(24(19)29-16)15-25-12-5-3-4-6-13-25/h7-11,14,26H,3-6,12-13,15H2,1-2H3