N-(5-acetamido-2-methoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H23N3O3/c1-14(24)21-17-7-8-19(26-2)18(11-17)22-20(25)13-23-10-9-15-5-3-4-6-16(15)12-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25)/p+1