N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-(4-p-toluoylpiperazin-1-ium-1-yl)acetamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C18H22N4O3/c1-13-3-5-15(6-4-13)18(24)22-9-7-21(8-10-22)12-17(23)19-16-11-14(2)25-20-16/h3-6,11H,7-10,12H2,1-2H3,(H,19,20,23)/p+1