4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S/c26-21(23-11-14-25-12-3-4-13-25)17-9-7-16(8-10-17)15-20-22(27)24-18-5-1-2-6-19(18)28-20/h1-2,5-10,15H,3-4,11-14H2,(H,23,26)(H,24,27)/p+1