6-ethyl-7-oxidanyl-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CCCCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CCCCC4)O

InChI

InChI=1S/C23H25NO3/c1-2-16-13-19-18(17-9-5-3-6-10-17)14-21(25)27-23(19)20(22(16)26)15-24-11-7-4-8-12-24/h3,5-6,9-10,13-14,26H,2,4,7-8,11-12,15H2,1H3/p+1