N-(2,6-dimethylphenyl)-2-[4-(2-prop-2-enoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-prop-2-enoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-allyloxybenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-(2-prop-2-enoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-prop-2-enoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-allyloxybenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3OCC=C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3OCC=C

InChI

InChI=1S/C24H29N3O3/c1-4-16-30-21-11-6-5-10-20(21)24(29)27-14-12-26(13-15-27)17-22(28)25-23-18(2)8-7-9-19(23)3/h4-11H,1,12-17H2,2-3H3,(H,25,28)/p+1