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

Systemtic Name: N,N-diethyl-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide Openeye Name: N,N-diethyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide CAS Name: N,N-diethyl-3-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Traditional Name: N,N-diethyl-3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H27N3O2/c1-3-25(4-2)22(27)18-10-7-11-20(14-18)23-21(26)16-24-13-12-17-8-5-6-9-19(17)15-24/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,23,26)/p+1