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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-methyl-3-isoxazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Traditional Name: (5-methylisoxazol-3-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O4/c1-12-8-14(18-24-12)17(21)20-6-4-19(5-7-20)10-13-2-3-15-16(9-13)23-11-22-15/h2-3,8-9H,4-7,10-11H2,1H3/p+1