N-(2,6-dimethylphenyl)-2-[4-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(4-allyl-2-methoxy-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-methoxy-4-prop-2-enylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[2-(4-allyl-2-methoxy-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C26H34N3O4+ MolecularWeight: 452.56586

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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=C(C=C(C=C3)CC=C)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-5-7-21-10-11-22(23(16-21)32-4)33-18-25(31)29-14-12-28(13-15-29)17-24(30)27-26-19(2)8-6-9-20(26)3/h5-6,8-11,16H,1,7,12-15,17-18H2,2-4H3,(H,27,30)/p+1