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

Systemtic Name: 2-chloranyl-N-[2-(3-pyrazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Openeye Name: 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide CAS Name: 2-chloro-N-[2-[3-(1-pyrazolyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Traditional Name: 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)CCCN4C=CC=N4

InChI

InChI=1S/C22H23ClN4O/c23-21-6-2-1-5-20(21)22(28)25-19-8-7-17-9-14-26(16-18(17)15-19)11-4-13-27-12-3-10-24-27/h1-3,5-8,10,12,15H,4,9,11,13-14,16H2,(H,25,28)/p+1