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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-4-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(4-chlorophenyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-4-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-chlorophenyl)-4-keto-chromen-7-olate Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO3/c23-16-7-5-15(6-8-16)19-14-27-22-17(21(19)26)9-10-20(25)18(22)13-24-11-3-1-2-4-12-24/h5-10,14,25H,1-4,11-13H2