1-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]isonipecotamide Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C16H21N3O2/c17-15(20)11-5-7-19(8-6-11)16(21)14-9-12-3-1-2-4-13(12)10-18-14/h1-4,11,14,18H,5-10H2,(H2,17,20)/p+1/t14-/m1/s1