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

Systemtic Name: (2S)-N-propyl-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-propyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]propanamide CAS Name: (2S)-2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-N-propyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-propyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]propionamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2/c1-3-9-18-17(22)13(2)19-16(21)12-20-10-8-14-6-4-5-7-15(14)11-20/h4-7,13H,3,8-12H2,1-2H3,(H,18,22)(H,19,21)/p+1/t13-/m0/s1