(3S)-1-[3-(hydroxymethyl)quinolin-1-ium-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[3-(hydroxymethyl)quinolin-1-ium-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-[3-(hydroxymethyl)quinolin-1-ium-2-yl]piperidine-3-carboxamide CAS Name: (3S)-1-[3-(hydroxymethyl)-2-quinolin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[3-(hydroxymethyl)quinolin-1-ium-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(3-methylolquinolin-1-ium-2-yl)nipecotamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C3=CC=CC=C3C=C2CO)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C3=CC=CC=C3C=C2CO)C(=O)N

InChI

InChI=1S/C16H19N3O2/c17-15(21)12-5-3-7-19(9-12)16-13(10-20)8-11-4-1-2-6-14(11)18-16/h1-2,4,6,8,12,20H,3,5,7,9-10H2,(H2,17,21)/p+1/t12-/m0/s1