N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(oxan-4-ylmethylamino)pyridin-1-ium-3-carboxamide

Systemtic Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(oxan-4-ylmethylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(tetrahydropyran-4-ylmethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[(1-methyl-2-imidazolyl)methyl]-6-(4-oxanylmethylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(oxan-4-ylmethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(tetrahydropyran-4-ylmethylamino)pyridin-1-ium-3-carboxamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)NCC3CCOCC3

Isomeric SMILES

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)NCC3CCOCC3

InChI

InChI=1S/C19H27N5O2/c1-3-24(14-18-20-8-9-23(18)2)19(25)16-4-5-17(22-13-16)21-12-15-6-10-26-11-7-15/h4-5,8-9,13,15H,3,6-7,10-12,14H2,1-2H3,(H,21,22)/p+1