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

Systemtic Name: [1-oxidanylidene-1-(4-oxidanylidene-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxy-3-phenyl-propan-2-yl]azanium Openeye Name: [1-benzyl-2-oxo-2-(4-oxo-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxy-ethyl]ammonium CAS Name: [1-oxo-1-[[4-oxo-6-propyl-3-(2-pyridin-1-iumyl)-1-benzopyran-7-yl]oxy]-3-phenylpropan-2-yl]ammonium IUPAC Name: [1-oxo-1-(4-oxo-6-propyl-3-pyridin-1-ium-2-ylchromen-7-yl)oxy-3-phenylpropan-2-yl]azanium Traditional Name: [1-benzyl-2-keto-2-(4-keto-6-propyl-3-pyridin-1-ium-2-yl-chromen-7-yl)oxy-ethyl]ammonium Formula: C26H26N2O4+2 MolecularWeight: 430.49564

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O4/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/p+2