N-(1,3-benzodioxol-5-ylmethyl)-1-oxidanidyl-3-propan-2-yl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-oxidanidyl-3-propan-2-yl-pyridin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-isopropyl-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-oxido-3-propan-2-yl-4-pyridin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-oxido-3-propan-2-ylpyridin-1-ium-4-carboxamide Traditional Name: 3-isopropyl-1-oxido-N-piperonyl-pyridin-1-ium-4-carboxamide Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C[N+](=C1)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C1=C(C=C[N+](=C1)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O4/c1-11(2)14-9-19(21)6-5-13(14)17(20)18-8-12-3-4-15-16(7-12)23-10-22-15/h3-7,9,11H,8,10H2,1-2H3,(H,18,20)