[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-isoxazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-ethyl-5-methyl-4-isoxazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone Traditional Name: (3-ethyl-5-methyl-isoxazol-4-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H23N3O4/c1-3-15-18(13(2)26-20-15)19(23)22-8-6-21(7-9-22)11-14-4-5-16-17(10-14)25-12-24-16/h4-5,10H,3,6-9,11-12H2,1-2H3/p+1