N-(pyridin-1-ium-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(pyridin-1-ium-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(pyridin-1-ium-2-ylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(2-pyridin-1-iumylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(pyridin-1-ium-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(pyridin-1-ium-2-ylmethyl)-piperonylamide Formula: C14H13N2O3+ MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC=CC=[NH+]3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC3=CC=CC=[NH+]3

InChI

InChI=1S/C14H12N2O3/c17-14(16-8-11-3-1-2-6-15-11)10-4-5-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)/p+1