6,7-bis(oxidanyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-bis(oxidanyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6,7-dihydroxy-chromen-2-one CAS Name: 6,7-dihydroxy-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6,7-dihydroxychromen-2-one Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6,7-dihydroxy-coumarin Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)O)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)O)O

InChI

InChI=1S/C22H23NO4/c24-19-12-18-17(11-22(26)27-21(18)13-20(19)25)14-23-8-6-16(7-9-23)10-15-4-2-1-3-5-15/h1-5,11-13,16,24-25H,6-10,14H2/p+1