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

Systemtic Name: N-(4-methoxyphenyl)-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-2-[[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=CC=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H25N3O3/c1-31-21-12-10-20(11-13-21)26-25(30)22-8-4-5-9-23(22)27-24(29)17-28-15-14-18-6-2-3-7-19(18)16-28/h2-13H,14-17H2,1H3,(H,26,30)(H,27,29)/p+1