2-isoquinolin-2-ium-2-yl-N-propyl-ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-propyl-ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-propyl-acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-propylacetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-propylacetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-propyl-acetamide Formula: C14H17N2O+ MolecularWeight: 229.29758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O/c1-2-8-15-14(17)11-16-9-7-12-5-3-4-6-13(12)10-16/h3-7,9-10H,2,8,11H2,1H3/p+1