(3R)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-(veratrylamino)ethyl]piperidin-1-ium-3-carboxamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-23-14-6-5-12(8-15(14)24-2)9-19-16(21)11-20-7-3-4-13(10-20)17(18)22/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H2,18,22)(H,19,21)/p+1/t13-/m1/s1