N-(4-methylphenyl)-2-[4-(4-prop-2-enoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(4-prop-2-enoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-allyloxybenzoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[oxo-(4-prop-2-enoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(4-prop-2-enoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-allyloxybenzoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-3-16-29-21-10-6-19(7-11-21)23(28)26-14-12-25(13-15-26)17-22(27)24-20-8-4-18(2)5-9-20/h3-11H,1,12-17H2,2H3,(H,24,27)/p+1