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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-methyl-3-phenyl-4-isoxazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H24N3O4+ MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O4/c1-16-21(22(24-30-16)18-5-3-2-4-6-18)23(27)26-11-9-25(10-12-26)14-17-7-8-19-20(13-17)29-15-28-19/h2-8,13H,9-12,14-15H2,1H3/p+1