3-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one

Systemtic Name: 3-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one Openeye Name: 3-hydroxy-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one CAS Name: 3-hydroxy-4-(1-piperidin-1-iumylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c][1]benzopyran-6-one IUPAC Name: 3-hydroxy-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one Traditional Name: 3-hydroxy-4-(piperidin-1-ium-1-ylmethyl)-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3C[NH+]4CCCCC4)O

Isomeric SMILES

C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3C[NH+]4CCCCC4)O

InChI

InChI=1S/C20H25NO3/c22-18-10-9-15-14-7-3-1-4-8-16(14)20(23)24-19(15)17(18)13-21-11-5-2-6-12-21/h9-10,22H,1-8,11-13H2/p+1