[(2R)-1-oxidanylidene-1-(4-oxidanylidene-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxy-3-phenyl-propan-2-yl]azanium dichloride

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-oxidanylidene-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxy-3-phenyl-propan-2-yl]azanium dichloride Openeye Name: [(1R)-1-benzyl-2-oxo-2-(4-oxo-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxy-ethyl]ammonium dichloride CAS Name: [(2R)-1-oxo-1-[[4-oxo-6-propyl-3-(2-pyridin-1-iumyl)-1-benzopyran-7-yl]oxy]-3-phenylpropan-2-yl]ammonium dichloride IUPAC Name: [(2R)-1-oxo-1-(4-oxo-6-propyl-3-pyridin-1-ium-2-ylchromen-7-yl)oxy-3-phenylpropan-2-yl]azanium dichloride Traditional Name: [(1R)-1-benzyl-2-keto-2-(4-keto-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxy-ethyl]ammonium dichloride Formula: C26H26Cl2N2O4 MolecularWeight: 501.40164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=CC=[NH+]3)OC(=O)C(CC4=CC=CC=C4)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=CC=[NH+]3)OC(=O)[C@@H](CC4=CC=CC=C4)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C26H24N2O4.2ClH/c1-2-8-18-14-19-24(31-16-20(25(19)29)22-11-6-7-12-28-22)15-23(18)32-26(30)21(27)13-17-9-4-3-5-10-17;;/h3-7,9-12,14-16,21H,2,8,13,27H2,1H3;2*1H/t21-;;/m1../s1