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

Systemtic Name: azepan-1-ium; 8-(azepan-1-ylmethyl)-3-(4-methoxyphenoxy)-4-oxidanylidene-chromen-7-olate Openeye Name: azepan-1-ium; 8-(azepan-1-ylmethyl)-3-(4-methoxyphenoxy)-4-oxo-chromen-7-olate CAS Name: azepan-1-ium; 8-(1-azepanylmethyl)-3-(4-methoxyphenoxy)-4-oxo-1-benzopyran-7-olate IUPAC Name: azepan-1-ium; 8-(azepan-1-ylmethyl)-3-(4-methoxyphenoxy)-4-oxochromen-7-olate Traditional Name: azepan-1-ium; 8-(azepan-1-ylmethyl)-4-keto-3-(4-methoxyphenoxy)chromen-7-olate Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCCCCC4)[O-].C1CCC[NH2+]CC1

Isomeric SMILES

COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCCCCC4)[O-].C1CCC[NH2+]CC1

InChI

InChI=1S/C23H25NO5.C6H13N/c1-27-16-6-8-17(9-7-16)29-21-15-28-23-18(22(21)26)10-11-20(25)19(23)14-24-12-4-2-3-5-13-24;1-2-4-6-7-5-3-1/h6-11,15,25H,2-5,12-14H2,1H3;7H,1-6H2