(3S)-5-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-5-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3S)-5-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-methyl-5-oxo-pentanoate CAS Name: (3S)-5-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-methyl-5-oxopentanoate IUPAC Name: (3S)-5-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-[4-(dimethylamino)pyridin-1-ium-1-yl]-5-keto-3-methyl-valerate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[N+]1=CC=C(C=C1)N(C)C)CC(=O)[O-]

Isomeric SMILES

C[C@@H](CC(=O)[N+]1=CC=C(C=C1)N(C)C)CC(=O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-10(9-13(17)18)8-12(16)15-6-4-11(5-7-15)14(2)3/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1