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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3,5-dimethylisoxazol-4-yl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C20H26N3O4+ MolecularWeight: 372.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-14-17(15(2)27-21-14)4-6-20(24)23-9-7-22(8-10-23)12-16-3-5-18-19(11-16)26-13-25-18/h3,5,11H,4,6-10,12-13H2,1-2H3/p+1