N-(2,6-dimethylphenyl)-2-[4-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(2-keto-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H26N4O3/c1-16-6-5-7-17(2)21(16)23-20(27)14-24-10-12-25(13-11-24)15-26-18-8-3-4-9-19(18)29-22(26)28/h3-9H,10-15H2,1-2H3,(H,23,27)/p+1