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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-(4-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c1-17-15-21(25-31-17)24-22(28)16-26-11-13-27(14-12-26)23(29)18-7-9-20(10-8-18)30-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3,(H,24,25,28)/p+1