1-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3-amino-3-oxo-propyl)sulfonylethyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-N-(1,3-benzodioxol-5-yl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3-amino-3-keto-propyl)sulfonylethyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Formula: C18H26N3O6S+ MolecularWeight: 412.48054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S/c19-17(22)5-9-28(24,25)10-8-21-6-3-13(4-7-21)18(23)20-14-1-2-15-16(11-14)27-12-26-15/h1-2,11,13H,3-10,12H2,(H2,19,22)(H,20,23)/p+1