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

Systemtic Name: 1-phenyl-N-[2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]cyclopropane-1-carboxamide Openeye Name: 1-phenyl-N-[2-(3-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]cyclopropanecarboxamide CAS Name: 1-phenyl-N-[2-(3-pyridinylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-1-cyclopropanecarboxamide IUPAC Name: 1-phenyl-N-[2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]cyclopropane-1-carboxamide Traditional Name: 1-phenyl-N-[2-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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