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

Systemtic Name: 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]piperidin-1-ium-4-carboxamide Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c17-16(21)11-3-6-19(7-4-11)8-5-15(20)18-12-1-2-13-14(9-12)23-10-22-13/h1-2,9,11H,3-8,10H2,(H2,17,21)(H,18,20)/p+1