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

Systemtic Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(oxan-4-ylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(tetrahydropyran-4-ylamino)pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[(1-methyl-2-imidazolyl)methyl]-6-(4-oxanylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(oxan-4-ylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(tetrahydropyran-4-ylamino)pyridin-1-ium-3-carboxamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)NC3CCOCC3

Isomeric SMILES

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)NC3CCOCC3

InChI

InChI=1S/C18H25N5O2/c1-3-23(13-17-19-8-9-22(17)2)18(24)14-4-5-16(20-12-14)21-15-6-10-25-11-7-15/h4-5,8-9,12,15H,3,6-7,10-11,13H2,1-2H3,(H,20,21)/p+1