N-(2,6-dimethylphenyl)-2-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-5-methyl-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-5-methyl-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H27N3O3/c1-15-7-8-19(26)18(13-15)22(28)25-11-9-24(10-12-25)14-20(27)23-21-16(2)5-4-6-17(21)3/h4-8,13,26H,9-12,14H2,1-3H3,(H,23,27)/p+1