ethyl 2-[7-methoxy-1-[1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-2-(2-oxidanyl-4-phenylmethoxy-phenyl)ethyl]-6-phenylmethoxy-isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[7-methoxy-1-[1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-2-(2-oxidanyl-4-phenylmethoxy-phenyl)ethyl]-6-phenylmethoxy-isoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-[6-benzyloxy-1-[2-(4-benzyloxy-2-hydroxy-phenyl)-1-(4-benzyloxy-3-methoxy-phenyl)-2-oxo-ethyl]-7-methoxy-isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-[2-(2-hydroxy-4-phenylmethoxyphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-2-oxoethyl]-7-methoxy-6-phenylmethoxy-2-isoquinolin-2-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(2-hydroxy-4-phenylmethoxyphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-2-oxoethyl]-7-methoxy-6-phenylmethoxyisoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[6-benzoxy-1-[2-(4-benzoxy-2-hydroxy-phenyl)-1-(4-benzoxy-3-methoxy-phenyl)-2-keto-ethyl]-7-methoxy-isoquinolin-2-ium-2-yl]acetic acid ethyl ester Formula: C50H46NO9+ MolecularWeight: 804.90154

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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)OC)C(=O)C6=C(C=C(C=C6)OCC7=CC=CC=C7)O

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)OC)C(=O)C6=C(C=C(C=C6)OCC7=CC=CC=C7)O

InChI

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