N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=NO3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=NO3)C(C)(C)C)C

InChI

InChI=1S/C21H30N4O2/c1-15-7-6-8-17(16(15)2)25-11-9-24(10-12-25)14-19(26)22-20-13-18(23-27-20)21(3,4)5/h6-8,13H,9-12,14H2,1-5H3,(H,22,26)/p+1