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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-4-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-4-oxo-3-phenyl-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-4-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-4-oxo-3-phenylchromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-keto-3-phenyl-chromen-7-olate Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H23NO3/c24-20-11-10-17-21(25)19(16-8-4-3-5-9-16)15-26-22(17)18(20)14-23-12-6-1-2-7-13-23/h3-5,8-11,15,24H,1-2,6-7,12-14H2