2-[[5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone iodide

Systemtic Name: 2-[[5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone iodide Openeye Name: 2-[[5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone iodide CAS Name: 2-[[5-(ethoxymethyl)-2-methyl-4-pyrimidin-1-iumyl]amino]-1-(5-methoxy-1,2-dimethyl-3-indolyl)ethanone iodide IUPAC Name: 2-[[5-(ethoxymethyl)-2-methylpyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone iodide Traditional Name: 2-[[5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-4-yl]amino]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)ethanone iodide Formula: C21H27IN4O3 MolecularWeight: 510.36855

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C[NH+]=C(N=C1NCC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C)C.[I-]

Isomeric SMILES

CCOCC1=C[NH+]=C(N=C1NCC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C)C.[I-]

InChI

InChI=1S/C21H26N4O3.HI/c1-6-28-12-15-10-22-14(3)24-21(15)23-11-19(26)20-13(2)25(4)18-8-7-16(27-5)9-17(18)20;/h7-10H,6,11-12H2,1-5H3,(H,22,23,24);1H