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

Systemtic Name: 2-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-(1,3-benzoxazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H26N4O2/c1-16-6-5-7-17(2)22(16)24-20(27)14-25-10-12-26(13-11-25)15-21-23-18-8-3-4-9-19(18)28-21/h3-9H,10-15H2,1-2H3,(H,24,27)/p+1