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

Systemtic Name: N-(3-acetamidophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(3-acetamidophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(3-acetamidophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(3-acetamidophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(3-acetamidophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H25N3O2/c1-18(29)26-23-7-4-8-24(15-23)27-25(30)21-11-9-19(10-12-21)16-28-14-13-20-5-2-3-6-22(20)17-28/h2-12,15H,13-14,16-17H2,1H3,(H,26,29)(H,27,30)/p+1