6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3S)-3-(hydroxymethyl)-1-piperidyl]-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3S)-3-(hydroxymethyl)-1-piperidinyl]-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3S)-3-methylolpiperidino]-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3)CO

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3)CO

InChI

InChI=1S/C20H26N4O2/c25-15-16-5-4-12-24(14-16)19-9-8-17(13-23-19)20(26)22-11-3-7-18-6-1-2-10-21-18/h1-2,6,8-10,13,16,25H,3-5,7,11-12,14-15H2,(H,22,26)/p+1/t16-/m0/s1