4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O)C(=O)C5=CC=CO5

InChI

InChI=1S/C23H21N3O3S/c27-19-8-7-16(22-24-18-4-1-2-6-21(18)30-22)14-17(19)15-25-9-11-26(12-10-25)23(28)20-5-3-13-29-20/h1-8,13-14,24H,9-12,15H2/p+1