N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3/c1-30-25-15-21(11-12-24(25)31-19-20-7-3-2-4-8-20)16-27-26(29)18-28-14-13-22-9-5-6-10-23(22)17-28/h2-12,15H,13-14,16-19H2,1H3,(H,27,29)/p+1