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

Systemtic Name: N-[(2S)-butan-2-yl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[(1S)-1-methylpropyl]acetamide Formula: C15H19N2O+ MolecularWeight: 243.32416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O/c1-3-12(2)16-15(18)11-17-9-8-13-6-4-5-7-14(13)10-17/h4-10,12H,3,11H2,1-2H3/p+1/t12-/m0/s1