N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(p-tolyl)isoxazol-5-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(4-methylphenyl)-5-isoxazolyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(p-tolyl)isoxazol-5-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H25N5O2/c1-17-5-7-18(8-6-17)20-14-22(29-25-20)24-21(28)16-27-12-10-26(11-13-27)15-19-4-2-3-9-23-19/h2-9,14H,10-13,15-16H2,1H3,(H,24,28)/p+1