5-bromanyl-N-(1-propylpiperidin-1-ium-4-yl)pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(1-propylpiperidin-1-ium-4-yl)pyridine-3-carboxamide Openeye Name: 5-bromo-N-(1-propylpiperidin-1-ium-4-yl)pyridine-3-carboxamide CAS Name: 5-bromo-N-(1-propyl-4-piperidin-1-iumyl)-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(1-propylpiperidin-1-ium-4-yl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-(1-propylpiperidin-1-ium-4-yl)nicotinamide Formula: C14H21BrN3O+ MolecularWeight: 327.24004

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C14H20BrN3O/c1-2-5-18-6-3-13(4-7-18)17-14(19)11-8-12(15)10-16-9-11/h8-10,13H,2-7H2,1H3,(H,17,19)/p+1