N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-1-ium-4-yl-piperazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-1-ium-4-yl-piperazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-1-ium-4-yl-piperazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-1-ium-4-ylpiperazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-1-ium-4-yl-piperazine-1-carboxamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H20N4O3/c23-18(20-14-1-2-16-17(13-14)25-12-11-24-16)22-9-7-21(8-10-22)15-3-5-19-6-4-15/h1-6,13H,7-12H2,(H,20,23)/p+1