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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethylisoxazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3,5-dimethyl-4-isoxazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone Traditional Name: (3,5-dimethylisoxazol-4-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-12-17(13(2)25-19-12)18(22)21-7-5-20(6-8-21)10-14-3-4-15-16(9-14)24-11-23-15/h3-4,9H,5-8,10-11H2,1-2H3/p+1