2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-oxidanyl-6-(phenylcarbonyl)phenolate

Systemtic Name: 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-oxidanyl-6-(phenylcarbonyl)phenolate Openeye Name: 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-6-benzoyl-3-hydroxy-phenolate CAS Name: 2-[(4-benzamido-1-piperidin-1-iumyl)methyl]-6-benzoyl-3-hydroxyphenolate IUPAC Name: 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-6-benzoyl-3-hydroxyphenolate Traditional Name: 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-6-benzoyl-3-hydroxy-phenolate Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC3=C(C=CC(=C3[O-])C(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC3=C(C=CC(=C3[O-])C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C26H26N2O4/c29-23-12-11-21(24(30)18-7-3-1-4-8-18)25(31)22(23)17-28-15-13-20(14-16-28)27-26(32)19-9-5-2-6-10-19/h1-12,20,29,31H,13-17H2,(H,27,32)