3-(1,3-benzodioxol-5-yl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,2-oxazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]isoxazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]isoxazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1,2-oxazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]isoxazole Formula: C17H23N3O3+2 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=CC(=NO2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=CC(=NO2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N3O3/c1-2-19-5-7-20(8-6-19)11-14-10-15(18-23-14)13-3-4-16-17(9-13)22-12-21-16/h3-4,9-10H,2,5-8,11-12H2,1H3/p+2