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

Systemtic Name: 2-[[2-(diethylamino)pyridin-1-ium-3-yl]methylamino]pyridin-1-ium-3-carboxamide Openeye Name: 2-[[2-(diethylamino)pyridin-1-ium-3-yl]methylamino]pyridin-1-ium-3-carboxamide CAS Name: 2-[[2-(diethylamino)-3-pyridin-1-iumyl]methylamino]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[[2-(diethylamino)pyridin-1-ium-3-yl]methylamino]pyridin-1-ium-3-carboxamide Traditional Name: 2-[[2-(diethylamino)pyridin-1-ium-3-yl]methylamino]pyridin-1-ium-3-carboxamide Formula: C16H23N5O+2 MolecularWeight: 301.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC2=C(C=CC=[NH+]2)C(=O)N

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC2=C(C=CC=[NH+]2)C(=O)N

InChI

InChI=1S/C16H21N5O/c1-3-21(4-2)16-12(7-5-10-19-16)11-20-15-13(14(17)22)8-6-9-18-15/h5-10H,3-4,11H2,1-2H3,(H2,17,22)(H,18,20)/p+2