N-(3-methylbutylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(isoamylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C17H25N3O2/c1-13(2)7-9-18-17(22)19-16(21)12-20-10-8-14-5-3-4-6-15(14)11-20/h3-6,13H,7-12H2,1-2H3,(H2,18,19,21,22)/p+1