1,3-benzodioxol-5-ylmethyl-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H29N3O4/c1-22(2,3)19-11-21(29-24-19)23-20(26)13-25(16-6-4-5-7-16)12-15-8-9-17-18(10-15)28-14-27-17/h8-11,16H,4-7,12-14H2,1-3H3,(H,23,26)/p+1