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

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanyl-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)-mercaptomethylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-sulfanylmethylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)-mercapto-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C14H21N2O2S+ MolecularWeight: 281.39374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-3-15-6-8-16(9-7-15)14(19)11-4-5-12(17)13(10-11)18-2/h4-5,10,19H,3,6-9H2,1-2H3/p+1