4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-phenyl-benzamide

Systemtic Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-phenyl-benzamide Openeye Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-phenyl-benzamide CAS Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-phenylbenzamide IUPAC Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-phenylbenzamide Traditional Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N-phenyl-benzamide Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)OC

InChI

InChI=1S/C25H26N2O3/c1-29-23-14-20-12-13-27(17-21(20)15-24(23)30-2)16-18-8-10-19(11-9-18)25(28)26-22-6-4-3-5-7-22/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,26,28)/p+1