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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)N

InChI

InChI=1S/C15H19N3O4/c16-15(20)10-2-1-5-18(7-10)8-14(19)17-11-3-4-12-13(6-11)22-9-21-12/h3-4,6,10H,1-2,5,7-9H2,(H2,16,20)(H,17,19)/p+1/t10-/m1/s1