(4-ethylpiperazin-4-ium-1-yl)-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[6-(2-thienylsulfonylimino)cyclohexa-2,4-dien-1-ylidene]methanolate CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(6-thiophen-2-ylsulfonylimino-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[6-(2-thienylsulfonylimino)cyclohexa-2,4-dien-1-ylidene]methanolate Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=C2C=CC=CC2=NS(=O)(=O)C3=CC=CS3)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=C2C=CC=CC2=NS(=O)(=O)C3=CC=CS3)[O-]

InChI

InChI=1S/C17H21N3O3S2/c1-2-19-9-11-20(12-10-19)17(21)14-6-3-4-7-15(14)18-25(22,23)16-8-5-13-24-16/h3-8,13,21H,2,9-12H2,1H3