1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C15H20N3O4+ MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N3O4/c16-15(20)10-3-5-18(6-4-10)8-14(19)17-11-1-2-12-13(7-11)22-9-21-12/h1-2,7,10H,3-6,8-9H2,(H2,16,20)(H,17,19)/p+1