7-chloranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-piperonylamide Formula: C17H24ClN2O3+ MolecularWeight: 339.83706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C17H23ClN2O3/c1-12-5-2-3-7-20(12)8-4-6-19-17(21)13-9-14(18)16-15(10-13)22-11-23-16/h9-10,12H,2-8,11H2,1H3,(H,19,21)/p+1/t12-/m0/s1