(2S)-N-ethyl-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]propionamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C16H23N3O2/c1-3-17-16(21)12(2)18-15(20)11-19-9-8-13-6-4-5-7-14(13)10-19/h4-7,12H,3,8-11H2,1-2H3,(H,17,21)(H,18,20)/p+1/t12-/m0/s1