N-phenethyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylamino]benzamide

Systemtic Name: N-phenethyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylamino]benzamide Openeye Name: N-phenethyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzamide CAS Name: 2-[[oxo-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methyl]amino]-N-phenethylbenzamide IUPAC Name: N-phenethyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzamide Traditional Name: N-phenethyl-2-[[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]amino]benzamide Formula: C32H32N3O2+ MolecularWeight: 490.61538

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H31N3O2/c36-31(27-16-14-25(15-17-27)22-35-21-19-26-10-4-5-11-28(26)23-35)34-30-13-7-6-12-29(30)32(37)33-20-18-24-8-2-1-3-9-24/h1-17H,18-23H2,(H,33,37)(H,34,36)/p+1