(3S)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-3-carboxamide Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N2O3/c16-13(9-2-1-5-14-7-9)15-10-3-4-11-12(6-10)18-8-17-11/h3-4,6,9,14H,1-2,5,7-8H2,(H,15,16)/p+1/t9-/m0/s1