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

Systemtic Name: N-[(2S)-butan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(2S)-butan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O/c1-3-12(2)16-15(18)11-17-9-8-13-6-4-5-7-14(13)10-17/h8-10,12H,3-7,11H2,1-2H3/p+1/t12-/m0/s1