6-(1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide

Systemtic Name: 6-(1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide Openeye Name: 6-(1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide CAS Name: 6-(1,4-diazepan-4-ium-1-yl)-3-pyridinecarboxamide IUPAC Name: 6-(1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamide Traditional Name: 6-(1,4-diazepan-4-ium-1-yl)nicotinamide Formula: C11H17N4O+ MolecularWeight: 221.27888

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC=C(C=C2)C(=O)N

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC=C(C=C2)C(=O)N

InChI

InChI=1S/C11H16N4O/c12-11(16)9-2-3-10(14-8-9)15-6-1-4-13-5-7-15/h2-3,8,13H,1,4-7H2,(H2,12,16)/p+1