N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[(1S)-1-methylbutyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C[N+]1=CC2=C(CCCC2)C=C1

Isomeric SMILES

CCC[C@H](C)NC(=O)C[N+]1=CC2=C(CCCC2)C=C1

InChI

InChI=1S/C16H24N2O/c1-3-6-13(2)17-16(19)12-18-10-9-14-7-4-5-8-15(14)11-18/h9-11,13H,3-8,12H2,1-2H3/p+1/t13-/m0/s1