4-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[[3-(3H-1,3-benzothiazol-2-ylidene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c23-13-22-9-7-21(8-10-22)12-15-11-14(5-6-17(15)24)19-20-16-3-1-2-4-18(16)25-19/h1-6,11,13,20H,7-10,12H2/p+1