(2R)-4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2,5-dimethoxyanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2,5-dimethoxyanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(2,5-dimethoxyanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(2,5-dimethoxyanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CC(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[C@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C17H24N2O5/c1-23-12-6-7-15(24-2)13(10-12)18-16(20)11-14(17(21)22)19-8-4-3-5-9-19/h6-7,10,14H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,21,22)/t14-/m1/s1