6-ethyl-7-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCCC3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCCC3)O

InChI

InChI=1S/C17H21NO3/c1-2-12-8-14-13(11-18-6-4-3-5-7-18)9-17(20)21-16(14)10-15(12)19/h8-10,19H,2-7,11H2,1H3/p+1