2-isoquinolin-2-ium-2-yl-N-pentan-3-yl-ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-pentan-3-ylacetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O/c1-3-15(4-2)17-16(19)12-18-10-9-13-7-5-6-8-14(13)11-18/h5-11,15H,3-4,12H2,1-2H3/p+1