2-azanyl-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]pyridine-4-carboxamide

Systemtic Name: 2-azanyl-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]pyridine-4-carboxamide CAS Name: 2-amino-N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]isonicotinamide Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2=CC(=NC=C2)N

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2=CC(=NC=C2)N

InChI

InChI=1S/C14H17N5O/c1-19(2)13-11(4-3-6-17-13)9-18-14(20)10-5-7-16-12(15)8-10/h3-8H,9H2,1-2H3,(H2,15,16)(H,18,20)/p+1