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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CC3=CC=CC=C3C[NH2+]2)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2)C(=O)N

InChI

InChI=1S/C16H21N3O2/c17-15(20)13-6-3-7-19(10-13)16(21)14-8-11-4-1-2-5-12(11)9-18-14/h1-2,4-5,13-14,18H,3,6-10H2,(H2,17,20)/p+1/t13-,14+/m0/s1