N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H26N4O2/c1-19(2,3)16-13-18(25-21-16)20-17(24)14-22-9-11-23(12-10-22)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3,(H,20,24)/p+1