N-(1,3-benzodioxol-5-yl)-1-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H29N4O5+ MolecularWeight: 429.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O5/c1-22(2,3)18-11-20(31-25-18)24-19(27)12-26-8-6-14(7-9-26)21(28)23-15-4-5-16-17(10-15)30-13-29-16/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,23,28)(H,24,27)/p+1