N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(2-methylpropylamino)pyridin-1-ium-3-carboxamide

Systemtic Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(2-methylpropylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-6-(isobutylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[(1-methyl-2-imidazolyl)methyl]-6-(2-methylpropylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(2-methylpropylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-6-(isobutylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C17H26N5O+ MolecularWeight: 316.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)NCC(C)C

Isomeric SMILES

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)NCC(C)C

InChI

InChI=1S/C17H25N5O/c1-5-22(12-16-18-8-9-21(16)4)17(23)14-6-7-15(20-11-14)19-10-13(2)3/h6-9,11,13H,5,10,12H2,1-4H3,(H,19,20)/p+1