1-phenyl-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]cyclopropane-1-carboxamide

Systemtic Name: 1-phenyl-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]cyclopropane-1-carboxamide Openeye Name: 1-phenyl-N-[2-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]cyclopropanecarboxamide CAS Name: 1-phenyl-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-1-cyclopropanecarboxamide IUPAC Name: 1-phenyl-N-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]cyclopropane-1-carboxamide Traditional Name: 1-phenyl-N-[2-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]cyclopropanecarboxamide Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3(CC3)C4=CC=CC=C4)CC5=CC=NC=C5

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3(CC3)C4=CC=CC=C4)CC5=CC=NC=C5

InChI

InChI=1S/C25H25N3O/c29-24(25(11-12-25)22-4-2-1-3-5-22)27-23-7-6-20-10-15-28(18-21(20)16-23)17-19-8-13-26-14-9-19/h1-9,13-14,16H,10-12,15,17-18H2,(H,27,29)/p+1