N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(methylamino)pyridin-1-ium-4-carboxamide

Systemtic Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(methylamino)pyridin-1-ium-4-carboxamide Openeye Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(methylamino)pyridin-1-ium-4-carboxamide CAS Name: N-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-2-(methylamino)-4-pyridin-1-iumcarboxamide IUPAC Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(methylamino)pyridin-1-ium-4-carboxamide Traditional Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-(methylamino)pyridin-1-ium-4-carboxamide Formula: C17H25N5O+2 MolecularWeight: 315.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O/c1-4-22(5-2)16-14(7-6-9-20-16)12-21-17(23)13-8-10-19-15(11-13)18-3/h6-11H,4-5,12H2,1-3H3,(H,18,19)(H,21,23)/p+2