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4-(azocan-1-ium-1-ylmethyl)-7-oxidanyl-chromen-2-one

4-(azocan-1-ium-1-ylmethyl)-7-oxidanyl-chromen-2-one

Systemtic Name:4-(azocan-1-ium-1-ylmethyl)-7-oxidanyl-chromen-2-one
Openeye Name:4-(azocan-1-ium-1-ylmethyl)-7-hydroxy-chromen-2-one
CAS Name:4-(1-azocan-1-iumylmethyl)-7-hydroxy-1-benzopyran-2-one
IUPAC Name:4-(azocan-1-ium-1-ylmethyl)-7-hydroxychromen-2-one
Traditional Name:4-(azocan-1-ium-1-ylmethyl)-7-hydroxy-coumarin
Formula: C17H22NO3+
MolecularWeight: 288.36148
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC(=O)OC3=C2C=CC(=C3)O


Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC(=O)OC3=C2C=CC(=C3)O


InChI

InChI=1S/C17H21NO3/c19-14-6-7-15-13(10-17(20)21-16(15)11-14)12-18-8-4-2-1-3-5-9-18/h6-7,10-11,19H,1-5,8-9,12H2/p+1


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