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

Systemtic Name: N-(pyridin-3-ylmethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(3-pyridylmethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(3-pyridinylmethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(pyridin-3-ylmethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(3-pyridylmethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C23H24N3O+ MolecularWeight: 358.45616

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O/c27-23(25-15-19-4-3-12-24-14-19)21-9-7-18(8-10-21)16-26-13-11-20-5-1-2-6-22(20)17-26/h1-10,12,14H,11,13,15-17H2,(H,25,27)/p+1