2-chloranyl-N-[2-(furan-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(furan-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Openeye Name: 2-chloro-N-[2-(3-furylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide CAS Name: 2-chloro-N-[2-(3-furanylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-(furan-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Traditional Name: 2-chloro-N-[2-(3-furfuryl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Formula: C21H20ClN2O2+ MolecularWeight: 367.8487

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)CC4=COC=C4

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)CC4=COC=C4

InChI

InChI=1S/C21H19ClN2O2/c22-20-4-2-1-3-19(20)21(25)23-18-6-5-16-7-9-24(13-17(16)11-18)12-15-8-10-26-14-15/h1-6,8,10-11,14H,7,9,12-13H2,(H,23,25)/p+1