2-isoquinolin-2-ium-2-yl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[(1S)-1-methylbutyl]acetamide Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)C[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H20N2O/c1-3-6-13(2)17-16(19)12-18-10-9-14-7-4-5-8-15(14)11-18/h4-5,7-11,13H,3,6,12H2,1-2H3/p+1/t13-/m0/s1