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

Systemtic Name: 6-oxidanyl-7-phenyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-hydroxy-7-phenyl-chromen-2-one CAS Name: 6-hydroxy-7-phenyl-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-hydroxy-7-phenylchromen-2-one Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-hydroxy-7-phenyl-coumarin Formula: C28H28NO3+ MolecularWeight: 426.52682

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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)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)O)C5=CC=CC=C5

InChI

InChI=1S/C28H27NO3/c30-26-17-25-23(16-28(31)32-27(25)18-24(26)22-9-5-2-6-10-22)19-29-13-11-21(12-14-29)15-20-7-3-1-4-8-20/h1-10,16-18,21,30H,11-15,19H2/p+1