4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)-mercaptomethylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanylmethylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-mercapto-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C15H23N2O3S+ MolecularWeight: 311.41972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=C2C=C(C(=O)C(=C2)OC)OC)S

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=C2C=C(C(=O)C(=C2)OC)OC)S

InChI

InChI=1S/C15H22N2O3S/c1-4-16-5-7-17(8-6-16)15(21)11-9-12(19-2)14(18)13(10-11)20-3/h9-10,21H,4-8H2,1-3H3/p+1