(5S)-5-(4-methoxyphenyl)-3-oxidanylidene-2-(2-piperazin-1-ylethyliminomethyl)cyclohexen-1-olate

Systemtic Name: (5S)-5-(4-methoxyphenyl)-3-oxidanylidene-2-(2-piperazin-1-ylethyliminomethyl)cyclohexen-1-olate Openeye Name: (5S)-5-(4-methoxyphenyl)-3-oxo-2-(2-piperazin-1-ylethyliminomethyl)cyclohexen-1-olate CAS Name: (5S)-5-(4-methoxyphenyl)-3-oxo-2-[2-(1-piperazinyl)ethyliminomethyl]-1-cyclohexenolate IUPAC Name: (5S)-5-(4-methoxyphenyl)-3-oxo-2-(2-piperazin-1-ylethyliminomethyl)cyclohexen-1-olate Traditional Name: (5S)-3-keto-5-(4-methoxyphenyl)-2-(2-piperazinoethyliminomethyl)cyclohexen-1-olate Formula: C20H26N3O3- MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=C(C(=O)C2)C=NCCN3CCNCC3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=C(C(=O)C2)C=NCCN3CCNCC3)[O-]

InChI

InChI=1S/C20H27N3O3/c1-26-17-4-2-15(3-5-17)16-12-19(24)18(20(25)13-16)14-22-8-11-23-9-6-21-7-10-23/h2-5,14,16,21,24H,6-13H2,1H3/p-1/t16-/m0/s1