(3R)-N-[(2S)-pentan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-[(2S)-pentan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-[(1S)-1-methylbutyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-[(2S)-pentan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-[(2S)-pentan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-[(1S)-1-methylbutyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1CC2=CC=CC=C2C[NH2+]1

Isomeric SMILES

CCC[C@H](C)NC(=O)[C@H]1CC2=CC=CC=C2C[NH2+]1

InChI

InChI=1S/C15H22N2O/c1-3-6-11(2)17-15(18)14-9-12-7-4-5-8-13(12)10-16-14/h4-5,7-8,11,14,16H,3,6,9-10H2,1-2H3,(H,17,18)/p+1/t11-,14+/m0/s1