6-(azepan-1-ium-1-ylmethyl)-7-oxidanyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-7-oxidanyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one CAS Name: 6-(1-azepan-1-iumylmethyl)-7-hydroxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Traditional Name: 6-(azepan-1-ium-1-ylmethyl)-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Formula: C19H24NO3+ MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C4=C3CCC4)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C4=C3CCC4)O

InChI

InChI=1S/C19H23NO3/c21-17-9-8-14-13-6-5-7-15(13)19(22)23-18(14)16(17)12-20-10-3-1-2-4-11-20/h8-9,21H,1-7,10-12H2/p+1