6-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-[4-(hydroxymethyl)-1-piperidyl]-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[4-(hydroxymethyl)-1-piperidinyl]-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(4-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:

C1CN(CCC1CO)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

C1CN(CCC1CO)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

InChI

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