(1R)-3-[[2-(4-methoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]oxymethyl]cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: (1R)-3-[[2-(4-methoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]oxymethyl]cyclohexa-2,4-diene-1-carboxamide Openeye Name: (1R)-3-[[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]oxymethyl]cyclohexa-2,4-diene-1-carboxamide CAS Name: (1R)-3-[[2-[(4-methoxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]oxymethyl]-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: (1R)-3-[[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]oxymethyl]cyclohexa-2,4-diene-1-carboxamide Traditional Name: (1R)-3-[(2-p-anisoyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)oxymethyl]cyclohexa-2,4-diene-1-carboxamide Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)[N+]2(CCC3=CC=CC=C3C2)OCC4=CC(CC=C4)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[N+]2(CCC3=CC=CC=C3C2)OCC4=C[C@@H](CC=C4)C(=O)N

InChI

InChI=1S/C25H26N2O4/c1-30-23-11-9-20(10-12-23)25(29)27(14-13-19-6-2-3-7-22(19)16-27)31-17-18-5-4-8-21(15-18)24(26)28/h2-7,9-12,15,21H,8,13-14,16-17H2,1H3,(H-,26,28)/p+1/t21-,27?/m1/s1