(3R)-1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C16H23N3O4/c1-22-12-5-6-14(23-2)13(8-12)18-15(20)10-19-7-3-4-11(9-19)16(17)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,17,21)(H,18,20)/p+1/t11-/m1/s1