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

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]cyclohexa-2,5-dien-1-one Formula: C23H23N4OS+ MolecularWeight: 403.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H22N4OS/c28-20-9-8-17(23-25-19-5-1-2-6-21(19)29-23)15-18(20)16-26-11-13-27(14-12-26)22-7-3-4-10-24-22/h1-10,15,25H,11-14,16H2/p+1