6-ethyl-7-oxidanyl-4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]coumarin Formula: C17H22NO4+ MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C17H21NO4/c1-2-11-7-14-12(10-18-5-3-13(19)4-6-18)8-17(21)22-16(14)9-15(11)20/h7-9,13,19-20H,2-6,10H2,1H3/p+1