4,7-dimethyl-5-oxidanyl-3-(phenylmethyl)-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4,7-dimethyl-5-oxidanyl-3-(phenylmethyl)-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 3-benzyl-5-hydroxy-4,7-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 5-hydroxy-4,7-dimethyl-3-(phenylmethyl)-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-5-hydroxy-4,7-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 3-benzyl-5-hydroxy-4,7-dimethyl-6-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C24H28NO3+ MolecularWeight: 378.48402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1C[NH+]4CCCCC4)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1C[NH+]4CCCCC4)O

InChI

InChI=1S/C24H27NO3/c1-16-13-21-22(23(26)20(16)15-25-11-7-4-8-12-25)17(2)19(24(27)28-21)14-18-9-5-3-6-10-18/h3,5-6,9-10,13,26H,4,7-8,11-12,14-15H2,1-2H3/p+1