ethyl 2-[7-methoxy-1-[2-(5-methoxy-2-oxidanyl-4-phenylmethoxy-phenyl)-2-oxidanylidene-1-(4-phenylmethoxyphenyl)ethyl]-6-phenylmethoxy-isoquinolin-2-ium-2-yl]ethanoate bromide

Systemtic Name: ethyl 2-[7-methoxy-1-[2-(5-methoxy-2-oxidanyl-4-phenylmethoxy-phenyl)-2-oxidanylidene-1-(4-phenylmethoxyphenyl)ethyl]-6-phenylmethoxy-isoquinolin-2-ium-2-yl]ethanoate bromide Openeye Name: ethyl 2-[6-benzyloxy-1-[2-(4-benzyloxy-2-hydroxy-5-methoxy-phenyl)-1-(4-benzyloxyphenyl)-2-oxo-ethyl]-7-methoxy-isoquinolin-2-ium-2-yl]acetate bromide CAS Name: 2-[1-[2-(2-hydroxy-5-methoxy-4-phenylmethoxyphenyl)-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]-7-methoxy-6-phenylmethoxy-2-isoquinolin-2-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[1-[2-(2-hydroxy-5-methoxy-4-phenylmethoxyphenyl)-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]-7-methoxy-6-phenylmethoxyisoquinolin-2-ium-2-yl]acetate bromide Traditional Name: 2-[6-benzoxy-1-[2-(4-benzoxy-2-hydroxy-5-methoxy-phenyl)-1-(4-benzoxyphenyl)-2-keto-ethyl]-7-methoxy-isoquinolin-2-ium-2-yl]acetic acid ethyl ester bromide Formula: C50H46BrNO9 MolecularWeight: 884.80554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C2=CC(=C(C=C2C=C1)OCC3=CC=CC=C3)OC)C(C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)C6=CC(=C(C=C6O)OCC7=CC=CC=C7)OC.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=C(C2=CC(=C(C=C2C=C1)OCC3=CC=CC=C3)OC)C(C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)C6=CC(=C(C=C6O)OCC7=CC=CC=C7)OC.[Br-]

InChI

InChI=1S/C50H45NO9.BrH/c1-4-57-47(53)30-51-25-24-38-26-45(59-32-35-16-10-6-11-17-35)43(55-2)27-40(38)49(51)48(37-20-22-39(23-21-37)58-31-34-14-8-5-9-15-34)50(54)41-28-44(56-3)46(29-42(41)52)60-33-36-18-12-7-13-19-36;/h5-29,48H,4,30-33H2,1-3H3;1H