[2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]-methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-oxo-ethyl]-methyl-(3-pyridylmethyl)ammonium CAS Name: [2-[[2-(dimethylamino)-3-pyridin-1-iumyl]methylamino]-2-oxoethyl]-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-oxoethyl]-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-keto-ethyl]-methyl-(3-pyridylmethyl)ammonium Formula: C17H25N5O+2 MolecularWeight: 315.4133

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)CC(=O)NCC2=C([NH+]=CC=C2)N(C)C

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC(=O)NCC2=C([NH+]=CC=C2)N(C)C

InChI

InChI=1S/C17H23N5O/c1-21(2)17-15(7-5-9-19-17)11-20-16(23)13-22(3)12-14-6-4-8-18-10-14/h4-10H,11-13H2,1-3H3,(H,20,23)/p+2