methyl 5-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-5-oxo-pentanoate CAS Name: 5-[[2-(dimethylamino)-3-pyridin-1-iumyl]methylamino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-5-oxopentanoate Traditional Name: 5-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-5-keto-valeric acid methyl ester Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)CCCC(=O)OC

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)CCCC(=O)OC

InChI

InChI=1S/C14H21N3O3/c1-17(2)14-11(6-5-9-15-14)10-16-12(18)7-4-8-13(19)20-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,18)/p+1