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

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Traditional Name: N-p-phenetyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H27N3O3/c1-2-32-22-13-11-21(12-14-22)27-26(31)23-9-5-6-10-24(23)28-25(30)18-29-16-15-19-7-3-4-8-20(19)17-29/h3-14H,2,15-18H2,1H3,(H,27,31)(H,28,30)/p+1