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

Systemtic Name: (2R)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C15H20N3O4+ MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)N)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)N)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N3O4/c16-15(20)11-3-1-2-6-18(11)8-14(19)17-10-4-5-12-13(7-10)22-9-21-12/h4-5,7,11H,1-3,6,8-9H2,(H2,16,20)(H,17,19)/p+1/t11-/m1/s1