(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium dichloride

Systemtic Name: (7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium dichloride Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methyl]ammonium dichloride CAS Name: (7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium dichloride IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methyl]azanium dichloride Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methyl]ammonium dichloride Formula: C28H30Cl2N2O3 MolecularWeight: 513.4554

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O)CC5=CC=CC=C5.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O)CC5=CC=CC=C5.[Cl-].[Cl-]

InChI

InChI=1S/C28H28N2O3.2ClH/c31-26-12-11-23-24(21-9-5-2-6-10-21)17-27(32)33-28(23)25(26)18-29-22-13-15-30(16-14-22)19-20-7-3-1-4-8-20;;/h1-12,17,22,29,31H,13-16,18-19H2;2*1H