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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-chloro-3-methyl-isoxazol-5-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-chloro-3-methyl-5-isoxazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-chloro-3-methyl-1,2-oxazol-5-yl)methanone Traditional Name: (4-chloro-3-methyl-isoxazol-5-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C17H19ClN3O4+ MolecularWeight: 364.80346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Cl)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NOC(=C1Cl)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18ClN3O4/c1-11-15(18)16(25-19-11)17(22)21-6-4-20(5-7-21)9-12-2-3-13-14(8-12)24-10-23-13/h2-3,8H,4-7,9-10H2,1H3/p+1