5,5-dimethyl-2-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[2-[4-[(E)-3-phenylacryloyl]piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-quinone Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NCC[NH+]2CCN(CC2)C(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-24(2)16-21(28)20(22(29)17-24)18-25-10-11-26-12-14-27(15-13-26)23(30)9-8-19-6-4-3-5-7-19/h3-9,18,20H,10-17H2,1-2H3/p+1/b9-8+,25-18?