N-(4-methoxyphenyl)-4-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC4=C(CCCC4)C=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C25H25N3O3/c1-31-23-12-10-22(11-13-23)27-25(30)19-6-8-21(9-7-19)26-24(29)17-28-15-14-18-4-2-3-5-20(18)16-28/h6-16H,2-5,17H2,1H3,(H-,26,27,29,30)/p+1