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

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Formula: C24H24N3OS+ MolecularWeight: 402.53186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3OS/c28-22-11-10-18(24-25-21-8-4-5-9-23(21)29-24)16-19(22)17-26-12-14-27(15-13-26)20-6-2-1-3-7-20/h1-11,16,25H,12-15,17H2/p+1