N-(1,3-benzodioxol-5-ylmethyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-piperonyl-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N3O3/c22-18(14-4-3-7-19-17(14)21-8-1-2-9-21)20-11-13-5-6-15-16(10-13)24-12-23-15/h3-7,10H,1-2,8-9,11-12H2,(H,20,22)/p+1