N-(2,6-dimethylphenyl)-2-[4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C26H35N3O3/c1-18(2)23-10-9-22(15-21(23)5)32-17-25(31)29-13-11-28(12-14-29)16-24(30)27-26-19(3)7-6-8-20(26)4/h6-10,15,18H,11-14,16-17H2,1-5H3,(H,27,30)/p+1