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

Systemtic Name: [(2R)-4-methyl-1-oxidanylidene-1-(4-oxidanylidene-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxy-pentan-2-yl]azanium dichloride Openeye Name: [(1R)-3-methyl-1-(4-oxo-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxycarbonyl-butyl]ammonium dichloride CAS Name: [(2R)-4-methyl-1-oxo-1-[[4-oxo-6-propyl-3-(2-pyridin-1-iumyl)-1-benzopyran-7-yl]oxy]pentan-2-yl]ammonium dichloride IUPAC Name: [(2R)-4-methyl-1-oxo-1-(4-oxo-6-propyl-3-pyridin-1-ium-2-ylchromen-7-yl)oxypentan-2-yl]azanium dichloride Traditional Name: [(1R)-1-(4-keto-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxycarbonyl-3-methyl-butyl]ammonium dichloride Formula: C23H28Cl2N2O4 MolecularWeight: 467.38542

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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(CC(C)C)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4.2ClH/c1-4-7-15-11-16-21(12-20(15)29-23(27)18(24)10-14(2)3)28-13-17(22(16)26)19-8-5-6-9-25-19;;/h5-6,8-9,11-14,18H,4,7,10,24H2,1-3H3;2*1H/t18-;;/m1../s1