2-[[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]methylidene]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]methylidene]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methylene]-4H-1,4-benzothiazin-3-one CAS Name: 2-[[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methylidene]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)benzylidene]-4H-1,4-benzothiazin-3-one Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S/c1-2-24-11-13-25(14-12-24)22(27)17-9-7-16(8-10-17)15-20-21(26)23-18-5-3-4-6-19(18)28-20/h3-10,15H,2,11-14H2,1H3,(H,23,26)/p+1