N-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[2-(1,2,3,4-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[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

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/h2-13H,14-17H2,1H3,(H,26,29)(H,27,30)/p+1