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

Systemtic Name: N-(phenylmethyl)-N-pyridin-1-ium-2-yl-1,3-benzodioxole-5-carboxamide Openeye Name: N-benzyl-N-pyridin-1-ium-2-yl-1,3-benzodioxole-5-carboxamide CAS Name: N-(phenylmethyl)-N-(2-pyridin-1-iumyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-benzyl-N-pyridin-1-ium-2-yl-1,3-benzodioxole-5-carboxamide Traditional Name: N-benzyl-N-pyridin-1-ium-2-yl-piperonylamide Formula: C20H17N2O3+ MolecularWeight: 333.36058

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H16N2O3/c23-20(16-9-10-17-18(12-16)25-14-24-17)22(19-8-4-5-11-21-19)13-15-6-2-1-3-7-15/h1-12H,13-14H2/p+1