2-isoquinolin-2-ium-2-yl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(3-methylbutyl)ethanamide Openeye Name: N-isopentyl-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(3-methylbutyl)acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(3-methylbutyl)acetamide Traditional Name: N-isoamyl-2-isoquinolin-2-ium-2-yl-acetamide Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)CCNC(=O)C[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H20N2O/c1-13(2)7-9-17-16(19)12-18-10-8-14-5-3-4-6-15(14)11-18/h3-6,8,10-11,13H,7,9,12H2,1-2H3/p+1