4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C28H29N4O2S+ MolecularWeight: 485.62046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c33-27(29-14-15-31-16-18-32(19-17-31)23-6-2-1-3-7-23)22-12-10-21(11-13-22)20-26-28(34)30-24-8-4-5-9-25(24)35-26/h1-13,20H,14-19H2,(H,29,33)(H,30,34)/p+1