N-pyridin-3-yl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-pyridin-3-yl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(3-pyridyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(3-pyridinyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-pyridin-3-yl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(3-pyridyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C22H22N3O+ MolecularWeight: 344.42958

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C22H21N3O/c26-22(24-21-6-3-12-23-14-21)19-9-7-17(8-10-19)15-25-13-11-18-4-1-2-5-20(18)16-25/h1-10,12,14H,11,13,15-16H2,(H,24,26)/p+1