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4-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-7-phenyl-chromen-6-olate
4-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-7-phenyl-chromen-6-olate
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4
Isomeric SMILES
C1CCC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4
InChI
InChI=1S/C22H23NO3/c24-20-13-19-17(15-23-10-6-1-2-7-11-23)12-22(25)26-21(19)14-18(20)16-8-4-3-5-9-16/h3-5,8-9,12-14,24H,1-2,6-7,10-11,15H2
Other Product
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