2-methoxy-N-[2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide

Systemtic Name: 2-methoxy-N-[2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Openeye Name: 2-methoxy-N-[2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide CAS Name: 2-methoxy-N-[2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide IUPAC Name: 2-methoxy-N-[2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Traditional Name: 2-methoxy-N-[2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Formula: C26H25N2O2+ MolecularWeight: 397.4889

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(CC[NH+](C3)CC#CC4=CC=CC=C4)C=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(CC[NH+](C3)CC#CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H24N2O2/c1-30-25-12-6-5-11-24(25)26(29)27-23-14-13-21-15-17-28(19-22(21)18-23)16-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,18H,15-17,19H2,1H3,(H,27,29)/p+1