8-[[(1S)-1-[[4-[5-(hydroxymethyl)-2-methoxy-phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methyl-isoquinolin-2-ium-7-ol hydroxide

Systemtic Name: 8-[[(1S)-1-[[4-[5-(hydroxymethyl)-2-methoxy-phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methyl-isoquinolin-2-ium-7-ol hydroxide Openeye Name: 8-[[(1S)-1-[[4-[5-(hydroxymethyl)-2-methoxy-phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methyl-isoquinolin-2-ium-7-ol hydroxide CAS Name: 8-[[(1S)-1-[[4-[5-(hydroxymethyl)-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methyl-7-isoquinolin-2-iumol hydroxide IUPAC Name: 8-[[(1S)-1-[[4-[5-(hydroxymethyl)-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methylisoquinolin-2-ium-7-ol hydroxide Traditional Name: 6-methoxy-8-[[(1S)-6-methoxy-1-[4-(2-methoxy-5-methylol-phenoxy)benzyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-isoquinolin-2-ium-7-ol hydroxide Formula: C37H40N2O8 MolecularWeight: 640.7221

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CO)OC)OC5=C6C=[N+](C=CC6=CC(=C5O)OC)C)OC.[OH-]

Isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CO)OC)OC5=C6C=[N+](C=CC6=CC(=C5O)OC)C)OC.[OH-]

InChI

InChI=1S/C37H38N2O7.H2O/c1-38-14-12-26-19-35(44-5)36(41)37(29(26)21-38)46-34-20-28-25(18-32(34)43-4)13-15-39(2)30(28)16-23-6-9-27(10-7-23)45-33-17-24(22-40)8-11-31(33)42-3;/h6-12,14,17-21,30,40H,13,15-16,22H2,1-5H3;1H2/t30-;/m0./s1